3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide

C27H28N2O — CID 4247196

IUPAC3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
SMILESCc1ccc(Cn2cc(CCC(=O)NCCc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C27H28N2O/c1-21-11-13-23(14-12-21)19-29-20-24(25-9-5-6-10-26(25)29)15-16-27(30)28-18-17-22-7-3-2-4-8-22/h2-14,20H,15-19H2,1H3,(H,28,30)
InChIKeyJGDHNIHRRVFAPC-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.29
Rot. Bonds8

About 3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide

3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide (PubChem CID 4247196) has the molecular formula C27H28N2O and a molecular weight of 396.53 g/mol. Its IUPAC name is 3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
PubChem CID4247196
Molecular FormulaC27H28N2O
Molecular Weight396.53 g/mol
Exact Mass396.22
IUPAC Name3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
SMILESCc1ccc(Cn2cc(CCC(=O)NCCc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C27H28N2O/c1-21-11-13-23(14-12-21)19-29-20-24(25-9-5-6-10-26(25)29)15-16-27(30)28-18-17-22-7-3-2-4-8-22/h2-14,20H,15-19H2,1H3,(H,28,30)
InChIKeyJGDHNIHRRVFAPC-UHFFFAOYSA-N
XLogP5.29
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 4048962
3-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 20899970
3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 20900094
3-(1-benzylindol-3-yl)-N-(3-propan-2-yloxypropyl)propanamide
CID 5059595
3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-N-(3-phenylpropyl)propanamide
CID 20899830
3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide
CID 4616418
methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate
CID 135031870
3-(1-benzylindol-3-yl)-N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 1261876
(3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 92917262
N-[2-(3,4-diethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
CID 20899940
4-(benzenesulfinyl)-N-[2-(1-benzylindol-3-yl)ethyl]butanamide
CID 15550783
N-butyl-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 20900041

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide (CID 4247196) is 3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide is Cc1ccc(Cn2cc(CCC(=O)NCCc3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide?
The InChIKey is JGDHNIHRRVFAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O/c1-21-11-13-23(14-12-21)19-29-20-24(25-9-5-6-10-26(25)29)15-16-27(30)28-18-17-22-7-3-2-4-8-22/h2-14,20H,15-19H2,1H3,(H,28,30).
What are the key properties of 3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide?
3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide has a molecular weight of 396.53 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 4247196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).