2-ethyl-N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-(4-phenylbutyl)quinoline-4-carboxamide;methane

C102H134N6O8 — CID 158544864

IUPAC2-ethyl-N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-(4-phenylbutyl)quinoline-4-carboxamide;methane
SMILESC.C=C(O)CC1CCC(c2ccc(-c3ccc4c(C(=O)NCCCCc5ccccc5)cc(C)nc4c3)cc2)CC1.C=C(O)CC1CCC(c2ccc(-c3ccc4c(c3)OC(C)CN4C(=O)NCCCCCCC)cc2)CC1.C=C(O)CC1CCC(c2ccc(-c3ccc4c(c3)OC(CC)CN4C(=O)NCCCCCCC)cc2)CC1
InChIInChI=1S/C36H40N2O2.C33H46N2O3.C32H44N2O3.CH4/c1-25-22-34(36(40)37-21-7-6-10-27-8-4-3-5-9-27)33-20-19-32(24-35(33)38-25)31-17-15-30(16-18-31)29-13-11-28(12-14-29)23-26(2)39;1-4-6-7-8-9-20-34-33(37)35-23-30(5-2)38-32-22-29(18-19-31(32)35)28-16-14-27(15-17-28)26-12-10-25(11-13-26)21-24(3)36;1-4-5-6-7-8-19-33-32(36)34-22-24(3)37-31-21-29(17-18-30(31)34)28-15-13-27(14-16-28)26-11-9-25(10-12-26)20-23(2)35;/h3-5,8-9,15-20,22,24,28-29,39H,2,6-7,10-14,21,23H2,1H3,(H,37,40);14-19,22,25-26,30,36H,3-13,20-21,23H2,1-2H3,(H,34,37);13-18,21,24-26,35H,2,4-12,19-20,22H2,1,3H3,(H,33,36);1H4
InChIKeyHOZIEMUMPLFUOG-UHFFFAOYSA-N
MW1572.23 g/mol
LogP26.44
Rot. Bonds31

About 2-ethyl-N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-(4-phenylbutyl)quinoline-4-carboxamide;methane

2-ethyl-N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-(4-phenylbutyl)quinoline-4-carboxamide;methane (PubChem CID 158544864) has the molecular formula C102H134N6O8 and a molecular weight of 1572.23 g/mol. Its IUPAC name is 2-ethyl-N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-(4-phenylbutyl)quinoline-4-carboxamide;methane.

Molecular Properties

Compound Name2-ethyl-N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-(4-phenylbutyl)quinoline-4-carboxamide;methane
PubChem CID158544864
Molecular FormulaC102H134N6O8
Molecular Weight1572.23 g/mol
Exact Mass1571.03
IUPAC Name2-ethyl-N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-(4-phenylbutyl)quinoline-4-carboxamide;methane
SMILESC.C=C(O)CC1CCC(c2ccc(-c3ccc4c(C(=O)NCCCCc5ccccc5)cc(C)nc4c3)cc2)CC1.C=C(O)CC1CCC(c2ccc(-c3ccc4c(c3)OC(C)CN4C(=O)NCCCCCCC)cc2)CC1.C=C(O)CC1CCC(c2ccc(-c3ccc4c(c3)OC(CC)CN4C(=O)NCCCCCCC)cc2)CC1
InChIInChI=1S/C36H40N2O2.C33H46N2O3.C32H44N2O3.CH4/c1-25-22-34(36(40)37-21-7-6-10-27-8-4-3-5-9-27)33-20-19-32(24-35(33)38-25)31-17-15-30(16-18-31)29-13-11-28(12-14-29)23-26(2)39;1-4-6-7-8-9-20-34-33(37)35-23-30(5-2)38-32-22-29(18-19-31(32)35)28-16-14-27(15-17-28)26-12-10-25(11-13-26)21-24(3)36;1-4-5-6-7-8-19-33-32(36)34-22-24(3)37-31-21-29(17-18-30(31)34)28-15-13-27(14-16-28)26-11-9-25(10-12-26)20-23(2)35;/h3-5,8-9,15-20,22,24,28-29,39H,2,6-7,10-14,21,23H2,1H3,(H,37,40);14-19,22,25-26,30,36H,3-13,20-21,23H2,1-2H3,(H,34,37);13-18,21,24-26,35H,2,4-12,19-20,22H2,1,3H3,(H,33,36);1H4
InChIKeyHOZIEMUMPLFUOG-UHFFFAOYSA-N
XLogP26.44
TPSA185.82 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds31
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001572.23
LogP ≤ 526.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-ethyl-N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-(4-phenylbutyl)quinoline-4-carboxamide;methane with MolForge

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Related Compounds

4-{(E)-2-[({[2,4-Dimethyl-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide; hydrochloride
CID 10745254
N-methyl-4-[(E)-3-oxo-3-[[2-oxo-2-[N,2,4-trimethyl-3-[(2-methyl-4-phenylquinolin-8-yl)oxymethyl]anilino]ethyl]amino]prop-1-enyl]benzamide;hydrochloride
CID 45259996
N-methyl-4-[(E)-3-oxo-3-[[2-oxo-2-[N,2,4-trimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]ethyl]amino]prop-1-enyl]benzamide;hydrochloride
CID 45260041
4-((E)-2-{[2'',4''-Dimethyl-3''-(2-methyl-quinolin-8-yloxymethyl)-biphenyl-2-ylmethyl]-carbamoyl}-vinyl)-N-methyl-benzamide
CID 9894265
4-[(E)-3-[3-[2,4-dimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]anilino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 10626599
N-Methyl-4-{(E)-2-[({methyl-[2-methyl-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-carbamoyl}-methyl)-carbamoyl]-vinyl}-benzamide
CID 10744917
N-(2-methoxyphenyl)-4-(2-phenylquinoline-4-carbonyl)piperazine-1-carboxamide
CID 141507755
N-[3-(2-Amino-quinolin-8-yloxy)-propyl]-4-isopropyl-benzamide
CID 44394764
5-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-N-[3-[4-[4-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]benzoyl]-2,3-dihydro-1,4-benzoxazin-7-yl]-2-methylphenyl]pyridine-2-carboxamide
CID 177644867
5-[(1,3-dihydroxypropan-2-ylamino)methyl]-N-[3-[4-[4-[(1,3-dihydroxypropan-2-ylamino)methyl]benzoyl]-2,3-dihydro-1,4-benzoxazin-7-yl]-2-methylphenyl]pyridine-2-carboxamide
CID 177645428
Lpv & sqv
CID 463900
2-(3-ethoxyphenyl)-N-[2-(morpholin-4-yl)ethyl]quinoline-4-carboxamide
CID 1223522

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-(4-phenylbutyl)quinoline-4-carboxamide;methane?
The IUPAC name of 2-ethyl-N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-(4-phenylbutyl)quinoline-4-carboxamide;methane (CID 158544864) is 2-ethyl-N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-(4-phenylbutyl)quinoline-4-carboxamide;methane.
What is the SMILES notation for 2-ethyl-N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-(4-phenylbutyl)quinoline-4-carboxamide;methane?
The canonical SMILES for 2-ethyl-N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-(4-phenylbutyl)quinoline-4-carboxamide;methane is C.C=C(O)CC1CCC(c2ccc(-c3ccc4c(C(=O)NCCCCc5ccccc5)cc(C)nc4c3)cc2)CC1.C=C(O)CC1CCC(c2ccc(-c3ccc4c(c3)OC(C)CN4C(=O)NCCCCCCC)cc2)CC1.C=C(O)CC1CCC(c2ccc(-c3ccc4c(c3)OC(CC)CN4C(=O)NCCCCCCC)cc2)CC1.
What is the InChIKey of 2-ethyl-N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-(4-phenylbutyl)quinoline-4-carboxamide;methane?
The InChIKey is HOZIEMUMPLFUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N2O2.C33H46N2O3.C32H44N2O3.CH4/c1-25-22-34(36(40)37-21-7-6-10-27-8-4-3-5-9-27)33-20-19-32(24-35(33)38-25)31-17-15-30(16-18-31)29-13-11-28(12-14-29)23-26(2)39;1-4-6-7-8-9-20-34-33(37)35-23-30(5-2)38-32-22-29(18-19-31(32)35)28-16-14-27(15-17-28)26-12-10-25(11-13-26)21-24(3)36;1-4-5-6-7-8-19-33-32(36)34-22-24(3)37-31-21-29(17-18-30(31)34)28-15-13-27(14-16-28)26-11-9-25(10-12-26)20-23(2)35;/h3-5,8-9,15-20,22,24,28-29,39H,2,6-7,10-14,21,23H2,1H3,(H,37,40);14-19,22,25-26,30,36H,3-13,20-21,23H2,1-2H3,(H,34,37);13-18,21,24-26,35H,2,4-12,19-20,22H2,1,3H3,(H,33,36);1H4.
What are the key properties of 2-ethyl-N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-(4-phenylbutyl)quinoline-4-carboxamide;methane?
2-ethyl-N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-(4-phenylbutyl)quinoline-4-carboxamide;methane has a molecular weight of 1572.23 g/mol, XLogP of 26.44, 31 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;N-heptyl-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2-methyl-N-(4-phenylbutyl)quinoline-4-carboxamide;methane is sourced from PubChem (CID 158544864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).