N-benzyl-3-(1-benzylindol-3-yl)-3-(2-methoxyphenyl)propanamide

C32H30N2O2 — CID 83285550

IUPACN-benzyl-3-(1-benzylindol-3-yl)-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1C(CC(=O)NCc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C32H30N2O2/c1-36-31-19-11-9-17-27(31)28(20-32(35)33-21-24-12-4-2-5-13-24)29-23-34(22-25-14-6-3-7-15-25)30-18-10-8-16-26(29)30/h2-19,23,28H,20-22H2,1H3,(H,33,35)
InChIKeyAIYQIASRZGFQSX-UHFFFAOYSA-N
MW474.60 g/mol
LogP6.54
Rot. Bonds9

About N-benzyl-3-(1-benzylindol-3-yl)-3-(2-methoxyphenyl)propanamide

N-benzyl-3-(1-benzylindol-3-yl)-3-(2-methoxyphenyl)propanamide (PubChem CID 83285550) has the molecular formula C32H30N2O2 and a molecular weight of 474.60 g/mol. Its IUPAC name is N-benzyl-3-(1-benzylindol-3-yl)-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(1-benzylindol-3-yl)-3-(2-methoxyphenyl)propanamide
PubChem CID83285550
Molecular FormulaC32H30N2O2
Molecular Weight474.60 g/mol
Exact Mass474.23
IUPAC NameN-benzyl-3-(1-benzylindol-3-yl)-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1C(CC(=O)NCc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C32H30N2O2/c1-36-31-19-11-9-17-27(31)28(20-32(35)33-21-24-12-4-2-5-13-24)29-23-34(22-25-14-6-3-7-15-25)30-18-10-8-16-26(29)30/h2-19,23,28H,20-22H2,1H3,(H,33,35)
InChIKeyAIYQIASRZGFQSX-UHFFFAOYSA-N
XLogP6.54
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(1-benzylindol-3-yl)-3-(3,5-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 93110594
N-benzyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4-phenylbutanamide
CID 83285109
N-benzyl-3-(1-benzylindol-3-yl)-4,4-dimethylpentanamide
CID 83279529
(3S)-N-benzyl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide
CID 92952967
(3R)-3-(1-benzylindol-3-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)-N-(2-methylpropyl)propanamide
CID 98250727
3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)propanamide
CID 83275455
(3S)-3-(1-benzylindol-3-yl)-3-(4-ethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 98524903
(3S)-3-(2-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 98773661
(3R)-3-(1-benzylindol-3-yl)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 98926923
(3R)-N-[(4-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide
CID 92957100
(3S)-3-(3,5-dimethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 93110467
methyl (4S)-4-(1-benzylindol-3-yl)-2-oxo-4-phenylbutanoate
CID 134944904

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(1-benzylindol-3-yl)-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-benzyl-3-(1-benzylindol-3-yl)-3-(2-methoxyphenyl)propanamide (CID 83285550) is N-benzyl-3-(1-benzylindol-3-yl)-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-benzyl-3-(1-benzylindol-3-yl)-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-benzyl-3-(1-benzylindol-3-yl)-3-(2-methoxyphenyl)propanamide is COc1ccccc1C(CC(=O)NCc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of N-benzyl-3-(1-benzylindol-3-yl)-3-(2-methoxyphenyl)propanamide?
The InChIKey is AIYQIASRZGFQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O2/c1-36-31-19-11-9-17-27(31)28(20-32(35)33-21-24-12-4-2-5-13-24)29-23-34(22-25-14-6-3-7-15-25)30-18-10-8-16-26(29)30/h2-19,23,28H,20-22H2,1H3,(H,33,35).
What are the key properties of N-benzyl-3-(1-benzylindol-3-yl)-3-(2-methoxyphenyl)propanamide?
N-benzyl-3-(1-benzylindol-3-yl)-3-(2-methoxyphenyl)propanamide has a molecular weight of 474.60 g/mol, XLogP of 6.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(1-benzylindol-3-yl)-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 83285550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).