N-benzhydryl-3-(7-ethyl-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide

C33H32N2O2 — CID 42802298

IUPACN-benzhydryl-3-(7-ethyl-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide
SMILESCCc1cccc2c(C(CC(=O)NC(c3ccccc3)c3ccccc3)c3ccc(OC)cc3)c[nH]c12
InChIInChI=1S/C33H32N2O2/c1-3-23-15-10-16-28-30(22-34-33(23)28)29(24-17-19-27(37-2)20-18-24)21-31(36)35-32(25-11-6-4-7-12-25)26-13-8-5-9-14-26/h4-20,22,29,32,34H,3,21H2,1-2H3,(H,35,36)
InChIKeyJHZDIIWDGXZALX-UHFFFAOYSA-N
MW488.63 g/mol
LogP7.17
Rot. Bonds9

About N-benzhydryl-3-(7-ethyl-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide

N-benzhydryl-3-(7-ethyl-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide (PubChem CID 42802298) has the molecular formula C33H32N2O2 and a molecular weight of 488.63 g/mol. Its IUPAC name is N-benzhydryl-3-(7-ethyl-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-benzhydryl-3-(7-ethyl-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide
PubChem CID42802298
Molecular FormulaC33H32N2O2
Molecular Weight488.63 g/mol
Exact Mass488.25
IUPAC NameN-benzhydryl-3-(7-ethyl-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide
SMILESCCc1cccc2c(C(CC(=O)NC(c3ccccc3)c3ccccc3)c3ccc(OC)cc3)c[nH]c12
InChIInChI=1S/C33H32N2O2/c1-3-23-15-10-16-28-30(22-34-33(23)28)29(24-17-19-27(37-2)20-18-24)21-31(36)35-32(25-11-6-4-7-12-25)26-13-8-5-9-14-26/h4-20,22,29,32,34H,3,21H2,1-2H3,(H,35,36)
InChIKeyJHZDIIWDGXZALX-UHFFFAOYSA-N
XLogP7.17
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 57.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzhydryl-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 42804555
3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanoic acid
CID 42802172
(3S)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 93123779
(3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 93123778
3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 4102874
3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)propanamide
CID 4034993
(3S)-3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 93122242
(3R)-3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 93123805
(3S)-3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 93123806
N-ethoxy-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide
CID 42778032
3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 42808770
(3S)-3-(4-chlorophenyl)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 93122210

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-(7-ethyl-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-benzhydryl-3-(7-ethyl-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide (CID 42802298) is N-benzhydryl-3-(7-ethyl-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-benzhydryl-3-(7-ethyl-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-benzhydryl-3-(7-ethyl-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide is CCc1cccc2c(C(CC(=O)NC(c3ccccc3)c3ccccc3)c3ccc(OC)cc3)c[nH]c12.
What is the InChIKey of N-benzhydryl-3-(7-ethyl-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is JHZDIIWDGXZALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N2O2/c1-3-23-15-10-16-28-30(22-34-33(23)28)29(24-17-19-27(37-2)20-18-24)21-31(36)35-32(25-11-6-4-7-12-25)26-13-8-5-9-14-26/h4-20,22,29,32,34H,3,21H2,1-2H3,(H,35,36).
What are the key properties of N-benzhydryl-3-(7-ethyl-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide?
N-benzhydryl-3-(7-ethyl-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 488.63 g/mol, XLogP of 7.17, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-(7-ethyl-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 42802298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).