7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-oxo-N-phenyl-2,3-dihydroquinoline-1-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenylquinoline-4-carboxamide

C155H171F3N10O9 — CID 158333534

IUPAC7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-oxo-N-phenyl-2,3-dihydroquinoline-1-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenylquinoline-4-carboxamide
SMILESCCC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccccc5)ccnc4c3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)C(=O)CCN4C(=O)Nc3ccccc3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(C(C)C)CN4C(=O)Nc3ccccc3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(C)CN4C(=O)Nc3ccccc3C(F)(F)F)cc2)CC1.CCc1ccccc1NC(=O)N1CC(C)Oc2cc(-c3ccc(C4CCC(CC)CC4)cc3)ccc21
InChIInChI=1S/2C32H38N2O2.C31H33F3N2O2.C30H32N2O2.C30H30N2O/c1-4-23-10-12-24(13-11-23)25-14-16-26(17-15-25)27-18-19-29-30(20-27)36-31(22(2)3)21-34(29)32(35)33-28-8-6-5-7-9-28;1-4-23-10-12-25(13-11-23)26-14-16-27(17-15-26)28-18-19-30-31(20-28)36-22(3)21-34(30)32(35)33-29-9-7-6-8-24(29)5-2;1-3-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-28-29(18-25)38-20(2)19-36(28)30(37)35-27-7-5-4-6-26(27)31(32,33)34;1-2-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-28-27(20-25)29(33)18-19-32(28)30(34)31-26-6-4-3-5-7-26;1-2-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-27-28(18-19-31-29(27)20-25)30(33)32-26-6-4-3-5-7-26/h5-9,14-20,22-24,31H,4,10-13,21H2,1-3H3,(H,33,35);6-9,14-20,22-23,25H,4-5,10-13,21H2,1-3H3,(H,33,35);4-7,12-18,20-22H,3,8-11,19H2,1-2H3,(H,35,37);3-7,12-17,20-22H,2,8-11,18-19H2,1H3,(H,31,34);3-7,12-22H,2,8-11H2,1H3,(H,32,33)
InChIKeyGQHMBOFTDPVEJZ-UHFFFAOYSA-N
MW2375.13 g/mol
LogP41.29
Rot. Bonds23

About 7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-oxo-N-phenyl-2,3-dihydroquinoline-1-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenylquinoline-4-carboxamide

7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-oxo-N-phenyl-2,3-dihydroquinoline-1-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenylquinoline-4-carboxamide (PubChem CID 158333534) has the molecular formula C155H171F3N10O9 and a molecular weight of 2375.13 g/mol. Its IUPAC name is 7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-oxo-N-phenyl-2,3-dihydroquinoline-1-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-oxo-N-phenyl-2,3-dihydroquinoline-1-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenylquinoline-4-carboxamide
PubChem CID158333534
Molecular FormulaC155H171F3N10O9
Molecular Weight2375.13 g/mol
Exact Mass2373.32
IUPAC Name7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-oxo-N-phenyl-2,3-dihydroquinoline-1-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenylquinoline-4-carboxamide
SMILESCCC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccccc5)ccnc4c3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)C(=O)CCN4C(=O)Nc3ccccc3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(C(C)C)CN4C(=O)Nc3ccccc3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(C)CN4C(=O)Nc3ccccc3C(F)(F)F)cc2)CC1.CCc1ccccc1NC(=O)N1CC(C)Oc2cc(-c3ccc(C4CCC(CC)CC4)cc3)ccc21
InChIInChI=1S/2C32H38N2O2.C31H33F3N2O2.C30H32N2O2.C30H30N2O/c1-4-23-10-12-24(13-11-23)25-14-16-26(17-15-25)27-18-19-29-30(20-27)36-31(22(2)3)21-34(29)32(35)33-28-8-6-5-7-9-28;1-4-23-10-12-25(13-11-23)26-14-16-27(17-15-26)28-18-19-30-31(20-28)36-22(3)21-34(30)32(35)33-29-9-7-6-8-24(29)5-2;1-3-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-28-29(18-25)38-20(2)19-36(28)30(37)35-27-7-5-4-6-26(27)31(32,33)34;1-2-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-28-27(20-25)29(33)18-19-32(28)30(34)31-26-6-4-3-5-7-26;1-2-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-27-28(18-19-31-29(27)20-25)30(33)32-26-6-4-3-5-7-26/h5-9,14-20,22-24,31H,4,10-13,21H2,1-3H3,(H,33,35);6-9,14-20,22-23,25H,4-5,10-13,21H2,1-3H3,(H,33,35);4-7,12-18,20-22H,3,8-11,19H2,1-2H3,(H,35,37);3-7,12-17,20-22H,2,8-11,18-19H2,1H3,(H,31,34);3-7,12-22H,2,8-11H2,1H3,(H,32,33)
InChIKeyGQHMBOFTDPVEJZ-UHFFFAOYSA-N
XLogP41.29
TPSA216.11 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms177
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002375.13
LogP ≤ 541.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-oxo-N-phenyl-2,3-dihydroquinoline-1-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenylquinoline-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-oxo-N-phenyl-2,3-dihydroquinoline-1-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenylquinoline-4-carboxamide?
The IUPAC name of 7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-oxo-N-phenyl-2,3-dihydroquinoline-1-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenylquinoline-4-carboxamide (CID 158333534) is 7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-oxo-N-phenyl-2,3-dihydroquinoline-1-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenylquinoline-4-carboxamide.
What is the SMILES notation for 7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-oxo-N-phenyl-2,3-dihydroquinoline-1-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenylquinoline-4-carboxamide?
The canonical SMILES for 7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-oxo-N-phenyl-2,3-dihydroquinoline-1-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenylquinoline-4-carboxamide is CCC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccccc5)ccnc4c3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)C(=O)CCN4C(=O)Nc3ccccc3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(C(C)C)CN4C(=O)Nc3ccccc3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(C)CN4C(=O)Nc3ccccc3C(F)(F)F)cc2)CC1.CCc1ccccc1NC(=O)N1CC(C)Oc2cc(-c3ccc(C4CCC(CC)CC4)cc3)ccc21.
What is the InChIKey of 7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-oxo-N-phenyl-2,3-dihydroquinoline-1-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenylquinoline-4-carboxamide?
The InChIKey is GQHMBOFTDPVEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H38N2O2.C31H33F3N2O2.C30H32N2O2.C30H30N2O/c1-4-23-10-12-24(13-11-23)25-14-16-26(17-15-25)27-18-19-29-30(20-27)36-31(22(2)3)21-34(29)32(35)33-28-8-6-5-7-9-28;1-4-23-10-12-25(13-11-23)26-14-16-27(17-15-26)28-18-19-30-31(20-28)36-22(3)21-34(30)32(35)33-29-9-7-6-8-24(29)5-2;1-3-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-28-29(18-25)38-20(2)19-36(28)30(37)35-27-7-5-4-6-26(27)31(32,33)34;1-2-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-28-27(20-25)29(33)18-19-32(28)30(34)31-26-6-4-3-5-7-26;1-2-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-27-28(18-19-31-29(27)20-25)30(33)32-26-6-4-3-5-7-26/h5-9,14-20,22-24,31H,4,10-13,21H2,1-3H3,(H,33,35);6-9,14-20,22-23,25H,4-5,10-13,21H2,1-3H3,(H,33,35);4-7,12-18,20-22H,3,8-11,19H2,1-2H3,(H,35,37);3-7,12-17,20-22H,2,8-11,18-19H2,1H3,(H,31,34);3-7,12-22H,2,8-11H2,1H3,(H,32,33).
What are the key properties of 7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-oxo-N-phenyl-2,3-dihydroquinoline-1-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenylquinoline-4-carboxamide?
7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-oxo-N-phenyl-2,3-dihydroquinoline-1-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenylquinoline-4-carboxamide has a molecular weight of 2375.13 g/mol, XLogP of 41.29, 23 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-oxo-N-phenyl-2,3-dihydroquinoline-1-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenylquinoline-4-carboxamide is sourced from PubChem (CID 158333534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).