4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide

C20H22N2O — CID 4806761

IUPAC4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide
SMILESCC(NC(=O)CCCc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C20H22N2O/c1-15(16-8-3-2-4-9-16)22-20(23)13-7-10-17-14-21-19-12-6-5-11-18(17)19/h2-6,8-9,11-12,14-15,21H,7,10,13H2,1H3,(H,22,23)
InChIKeySHWJDFWROCBCCM-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.37
Rot. Bonds6

About 4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide

4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide (PubChem CID 4806761) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide
PubChem CID4806761
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide
SMILESCC(NC(=O)CCCc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C20H22N2O/c1-15(16-8-3-2-4-9-16)22-20(23)13-7-10-17-14-21-19-12-6-5-11-18(17)19/h2-6,8-9,11-12,14-15,21H,7,10,13H2,1H3,(H,22,23)
InChIKeySHWJDFWROCBCCM-UHFFFAOYSA-N
XLogP4.37
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
N-[1-(4-bromophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 24544612
N-[1-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 42998457
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
CID 644229
N-[4-[1-[4-(1H-indol-3-yl)butanoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 55584532
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-(1H-indol-3-yl)butanamide
CID 51492412
4-(1H-indol-3-yl)-N-[(1S)-2-methylsulfonyl-1-phenylethyl]butanamide
CID 97000968
methyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate
CID 60638102
N-[1-[4-(dimethylamino)phenyl]ethyl]-3-(1H-indol-3-yl)propanamide
CID 70160592
N-[2-(dimethylamino)-2-phenylethyl]-4-(1H-indol-3-yl)butanamide
CID 51153675
N-(1-hydroxy-4-methylpentan-2-yl)-4-(1H-indol-3-yl)butanamide
CID 110902772
3-(1H-indol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 4794791

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide (CID 4806761) is 4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide is CC(NC(=O)CCCc1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide?
The InChIKey is SHWJDFWROCBCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-15(16-8-3-2-4-9-16)22-20(23)13-7-10-17-14-21-19-12-6-5-11-18(17)19/h2-6,8-9,11-12,14-15,21H,7,10,13H2,1H3,(H,22,23).
What are the key properties of 4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide?
4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide has a molecular weight of 306.41 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide is sourced from PubChem (CID 4806761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).