7-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C127H146F4N8O8 — CID 159509742

IUPAC7-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCCC1CCC(c2ccc(-c3ccc4c(c3)OC(CC)CN4C(=O)Nc3ccc(F)cc3C(F)(F)F)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(CC)CN4C(=O)Nc3ccccc3C)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OCC(C)N4C(=O)Nc3ccccc3)cc2)CC1.CCc1ccccc1NC(=O)N1CC(CC)Oc2cc(-c3ccc(C4CCC(CC)CC4)cc3)ccc21
InChIInChI=1S/C33H40N2O2.C32H34F4N2O2.C32H38N2O2.C30H34N2O2/c1-4-23-11-13-25(14-12-23)26-15-17-27(18-16-26)28-19-20-31-32(21-28)37-29(6-3)22-35(31)33(36)34-30-10-8-7-9-24(30)5-2;1-3-20-5-7-21(8-6-20)22-9-11-23(12-10-22)24-13-16-29-30(17-24)40-26(4-2)19-38(29)31(39)37-28-15-14-25(33)18-27(28)32(34,35)36;1-4-23-10-12-24(13-11-23)25-14-16-26(17-15-25)27-18-19-30-31(20-27)36-28(5-2)21-34(30)32(35)33-29-9-7-6-8-22(29)3;1-3-22-9-11-23(12-10-22)24-13-15-25(16-14-24)26-17-18-28-29(19-26)34-20-21(2)32(28)30(33)31-27-7-5-4-6-8-27/h7-10,15-21,23,25,29H,4-6,11-14,22H2,1-3H3,(H,34,36);9-18,20-21,26H,3-8,19H2,1-2H3,(H,37,39);6-9,14-20,23-24,28H,4-5,10-13,21H2,1-3H3,(H,33,35);4-8,13-19,21-23H,3,9-12,20H2,1-2H3,(H,31,33)
InChIKeyMALGBIVONJKQIN-UHFFFAOYSA-N
MW1988.60 g/mol
LogP34.63
Rot. Bonds20

About 7-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide

7-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 159509742) has the molecular formula C127H146F4N8O8 and a molecular weight of 1988.60 g/mol. Its IUPAC name is 7-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound Name7-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID159509742
Molecular FormulaC127H146F4N8O8
Molecular Weight1988.60 g/mol
Exact Mass1987.12
IUPAC Name7-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCCC1CCC(c2ccc(-c3ccc4c(c3)OC(CC)CN4C(=O)Nc3ccc(F)cc3C(F)(F)F)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(CC)CN4C(=O)Nc3ccccc3C)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OCC(C)N4C(=O)Nc3ccccc3)cc2)CC1.CCc1ccccc1NC(=O)N1CC(CC)Oc2cc(-c3ccc(C4CCC(CC)CC4)cc3)ccc21
InChIInChI=1S/C33H40N2O2.C32H34F4N2O2.C32H38N2O2.C30H34N2O2/c1-4-23-11-13-25(14-12-23)26-15-17-27(18-16-26)28-19-20-31-32(21-28)37-29(6-3)22-35(31)33(36)34-30-10-8-7-9-24(30)5-2;1-3-20-5-7-21(8-6-20)22-9-11-23(12-10-22)24-13-16-29-30(17-24)40-26(4-2)19-38(29)31(39)37-28-15-14-25(33)18-27(28)32(34,35)36;1-4-23-10-12-24(13-11-23)25-14-16-26(17-15-25)27-18-19-30-31(20-27)36-28(5-2)21-34(30)32(35)33-29-9-7-6-8-22(29)3;1-3-22-9-11-23(12-10-22)24-13-15-25(16-14-24)26-17-18-28-29(19-26)34-20-21(2)32(28)30(33)31-27-7-5-4-6-8-27/h7-10,15-21,23,25,29H,4-6,11-14,22H2,1-3H3,(H,34,36);9-18,20-21,26H,3-8,19H2,1-2H3,(H,37,39);6-9,14-20,23-24,28H,4-5,10-13,21H2,1-3H3,(H,33,35);4-8,13-19,21-23H,3,9-12,20H2,1-2H3,(H,31,33)
InChIKeyMALGBIVONJKQIN-UHFFFAOYSA-N
XLogP34.63
TPSA166.28 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms147
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001988.60
LogP ≤ 534.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 7-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide with MolForge

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Related Compounds

2-[4-[4-[(2R)-4-[(2-ethylphenyl)carbamoyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]phenyl]cyclohexyl]acetic acid
CID 86277844
2-[4-[4-[4-[(2-Ethylphenyl)carbamoyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]phenyl]cyclohexyl]acetic acid
CID 57328828
2-[4-[4-[4-[[4-Fluoro-2-(trifluoromethyl)phenyl]carbamoyl]-2,3-dihydro-1,4-benzoxazin-7-yl]phenyl]cyclohexyl]acetic acid
CID 58064420
2-[4-[4-[4-[[2-(Trifluoromethyl)phenyl]carbamoyl]-2,3-dihydro-1,4-benzoxazin-7-yl]phenyl]cyclohexyl]acetic acid
CID 58064582
2-[4-[4-[(2S)-4-[(2-ethylphenyl)carbamoyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]phenyl]cyclohexyl]acetic acid
CID 90644595
4,15,20,31-Tetramethoxy-6,8,11,13,22,24,27,29-octaazaheptacyclo(28.2.2.2(2,5).2(8,11).2(14,17).2(18,21).2(24,27))tetratetraconta-1(32),2,4,14,16,18,20,30,33,37,39,43-dodecaene-7,12,23,28-tetrone
CID 235812
N-(3,4-difluorophenyl)-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 58064370
7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 58064390
7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[2-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 58064392
2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 58064411
N-(3-chloro-4-fluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 58064426
7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 58064432

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of 7-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 159509742) is 7-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for 7-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for 7-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is CCC1CCC(c2ccc(-c3ccc4c(c3)OC(CC)CN4C(=O)Nc3ccc(F)cc3C(F)(F)F)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(CC)CN4C(=O)Nc3ccccc3C)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OCC(C)N4C(=O)Nc3ccccc3)cc2)CC1.CCc1ccccc1NC(=O)N1CC(CC)Oc2cc(-c3ccc(C4CCC(CC)CC4)cc3)ccc21.
What is the InChIKey of 7-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is MALGBIVONJKQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N2O2.C32H34F4N2O2.C32H38N2O2.C30H34N2O2/c1-4-23-11-13-25(14-12-23)26-15-17-27(18-16-26)28-19-20-31-32(21-28)37-29(6-3)22-35(31)33(36)34-30-10-8-7-9-24(30)5-2;1-3-20-5-7-21(8-6-20)22-9-11-23(12-10-22)24-13-16-29-30(17-24)40-26(4-2)19-38(29)31(39)37-28-15-14-25(33)18-27(28)32(34,35)36;1-4-23-10-12-24(13-11-23)25-14-16-26(17-15-25)27-18-19-30-31(20-27)36-28(5-2)21-34(30)32(35)33-29-9-7-6-8-22(29)3;1-3-22-9-11-23(12-10-22)24-13-15-25(16-14-24)26-17-18-28-29(19-26)34-20-21(2)32(28)30(33)31-27-7-5-4-6-8-27/h7-10,15-21,23,25,29H,4-6,11-14,22H2,1-3H3,(H,34,36);9-18,20-21,26H,3-8,19H2,1-2H3,(H,37,39);6-9,14-20,23-24,28H,4-5,10-13,21H2,1-3H3,(H,33,35);4-8,13-19,21-23H,3,9-12,20H2,1-2H3,(H,31,33).
What are the key properties of 7-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
7-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 1988.60 g/mol, XLogP of 34.63, 20 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-ethylcyclohexyl)phenyl]-3-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 159509742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).