3-(1-benzylindol-3-yl)-N-(3-methoxypropyl)-4-phenylbutanamide

C29H32N2O2 — CID 42774882

IUPAC3-(1-benzylindol-3-yl)-N-(3-methoxypropyl)-4-phenylbutanamide
SMILESCOCCCNC(=O)CC(Cc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C29H32N2O2/c1-33-18-10-17-30-29(32)20-25(19-23-11-4-2-5-12-23)27-22-31(21-24-13-6-3-7-14-24)28-16-9-8-15-26(27)28/h2-9,11-16,22,25H,10,17-21H2,1H3,(H,30,32)
InChIKeyMDSSHFGRLQPCBW-UHFFFAOYSA-N
MW440.59 g/mol
LogP5.56
Rot. Bonds11

About 3-(1-benzylindol-3-yl)-N-(3-methoxypropyl)-4-phenylbutanamide

3-(1-benzylindol-3-yl)-N-(3-methoxypropyl)-4-phenylbutanamide (PubChem CID 42774882) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 3-(1-benzylindol-3-yl)-N-(3-methoxypropyl)-4-phenylbutanamide.

Molecular Properties

Compound Name3-(1-benzylindol-3-yl)-N-(3-methoxypropyl)-4-phenylbutanamide
PubChem CID42774882
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC Name3-(1-benzylindol-3-yl)-N-(3-methoxypropyl)-4-phenylbutanamide
SMILESCOCCCNC(=O)CC(Cc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C29H32N2O2/c1-33-18-10-17-30-29(32)20-25(19-23-11-4-2-5-12-23)27-22-31(21-24-13-6-3-7-14-24)28-16-9-8-15-26(27)28/h2-9,11-16,22,25H,10,17-21H2,1H3,(H,30,32)
InChIKeyMDSSHFGRLQPCBW-UHFFFAOYSA-N
XLogP5.56
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4-phenylbutanamide
CID 83285109
3-(1-benzylindol-3-yl)-4-phenyl-N-propan-2-ylbutanamide
CID 42777986
3-(1-benzylindol-3-yl)-N-ethoxy-4-phenylbutanamide
CID 42777985
3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide
CID 83285095
3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-4-phenylbutanamide
CID 3986861
3-(3,5-dimethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-methoxypropyl)propanamide
CID 4522568
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-methoxypropyl)-3-(3-methylphenyl)propanamide
CID 4252671
3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-methoxypropyl)propanamide
CID 5140407
(3S)-3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-methoxypropyl)propanamide
CID 92961932
3-(1-benzylindol-3-yl)-N-(2-methoxyethyl)-3-(3-methylphenyl)propanamide
CID 42774906
(3S)-3-(1-benzylindol-3-yl)-N-(2-methoxyethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 98670351
N-benzyl-3-(1-benzylindol-3-yl)-3-(2-methoxyphenyl)propanamide
CID 83285550

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylindol-3-yl)-N-(3-methoxypropyl)-4-phenylbutanamide?
The IUPAC name of 3-(1-benzylindol-3-yl)-N-(3-methoxypropyl)-4-phenylbutanamide (CID 42774882) is 3-(1-benzylindol-3-yl)-N-(3-methoxypropyl)-4-phenylbutanamide.
What is the SMILES notation for 3-(1-benzylindol-3-yl)-N-(3-methoxypropyl)-4-phenylbutanamide?
The canonical SMILES for 3-(1-benzylindol-3-yl)-N-(3-methoxypropyl)-4-phenylbutanamide is COCCCNC(=O)CC(Cc1ccccc1)c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 3-(1-benzylindol-3-yl)-N-(3-methoxypropyl)-4-phenylbutanamide?
The InChIKey is MDSSHFGRLQPCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O2/c1-33-18-10-17-30-29(32)20-25(19-23-11-4-2-5-12-23)27-22-31(21-24-13-6-3-7-14-24)28-16-9-8-15-26(27)28/h2-9,11-16,22,25H,10,17-21H2,1H3,(H,30,32).
What are the key properties of 3-(1-benzylindol-3-yl)-N-(3-methoxypropyl)-4-phenylbutanamide?
3-(1-benzylindol-3-yl)-N-(3-methoxypropyl)-4-phenylbutanamide has a molecular weight of 440.59 g/mol, XLogP of 5.56, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylindol-3-yl)-N-(3-methoxypropyl)-4-phenylbutanamide is sourced from PubChem (CID 42774882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).