N-benzyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4-phenylbutanamide

C33H32N2O2 — CID 83285109

IUPACN-benzyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4-phenylbutanamide
SMILESCOc1ccc(Cn2cc(C(CC(=O)NCc3ccccc3)Cc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C33H32N2O2/c1-37-29-18-16-27(17-19-29)23-35-24-31(30-14-8-9-15-32(30)35)28(20-25-10-4-2-5-11-25)21-33(36)34-22-26-12-6-3-7-13-26/h2-19,24,28H,20-23H2,1H3,(H,34,36)
InChIKeyYDBSRSUAHPWLDA-UHFFFAOYSA-N
MW488.63 g/mol
LogP6.73
Rot. Bonds10

About N-benzyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4-phenylbutanamide

N-benzyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4-phenylbutanamide (PubChem CID 83285109) has the molecular formula C33H32N2O2 and a molecular weight of 488.63 g/mol. Its IUPAC name is N-benzyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-benzyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4-phenylbutanamide
PubChem CID83285109
Molecular FormulaC33H32N2O2
Molecular Weight488.63 g/mol
Exact Mass488.25
IUPAC NameN-benzyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4-phenylbutanamide
SMILESCOc1ccc(Cn2cc(C(CC(=O)NCc3ccccc3)Cc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C33H32N2O2/c1-37-29-18-16-27(17-19-29)23-35-24-31(30-14-8-9-15-32(30)35)28(20-25-10-4-2-5-11-25)21-33(36)34-22-26-12-6-3-7-13-26/h2-19,24,28H,20-23H2,1H3,(H,34,36)
InChIKeyYDBSRSUAHPWLDA-UHFFFAOYSA-N
XLogP6.73
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide
CID 83285095
3-(1-benzylindol-3-yl)-N-(3-methoxypropyl)-4-phenylbutanamide
CID 42774882
3-(1-benzylindol-3-yl)-4-phenyl-N-propan-2-ylbutanamide
CID 42777986
3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-4-phenylbutanamide
CID 3986861
3-(1-benzylindol-3-yl)-N-ethoxy-4-phenylbutanamide
CID 42777985
N-benzyl-3-(1-benzylindol-3-yl)-3-(2-methoxyphenyl)propanamide
CID 83285550
(3R)-3-(1-benzylindol-3-yl)-3-(3,5-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 93110594
(3S)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-(4-phenylmethoxyphenyl)propanamide
CID 98250713
3-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
CID 71957654
N-benzyl-3-(1-benzylindol-3-yl)-4,4-dimethylpentanamide
CID 83279529
N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4,4-dimethylpentanamide
CID 83274949
3-(3,5-dimethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanoic acid
CID 42778189

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4-phenylbutanamide?
The IUPAC name of N-benzyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4-phenylbutanamide (CID 83285109) is N-benzyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4-phenylbutanamide.
What is the SMILES notation for N-benzyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4-phenylbutanamide?
The canonical SMILES for N-benzyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4-phenylbutanamide is COc1ccc(Cn2cc(C(CC(=O)NCc3ccccc3)Cc3ccccc3)c3ccccc32)cc1.
What is the InChIKey of N-benzyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4-phenylbutanamide?
The InChIKey is YDBSRSUAHPWLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N2O2/c1-37-29-18-16-27(17-19-29)23-35-24-31(30-14-8-9-15-32(30)35)28(20-25-10-4-2-5-11-25)21-33(36)34-22-26-12-6-3-7-13-26/h2-19,24,28H,20-23H2,1H3,(H,34,36).
What are the key properties of N-benzyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4-phenylbutanamide?
N-benzyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4-phenylbutanamide has a molecular weight of 488.63 g/mol, XLogP of 6.73, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4-phenylbutanamide is sourced from PubChem (CID 83285109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).