N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide

C20H22N2O — CID 142880124

IUPACN-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
SMILESCC(Cc1c[nH]c2ccccc12)NC(=O)CCc1ccccc1
InChIInChI=1S/C20H22N2O/c1-15(13-17-14-21-19-10-6-5-9-18(17)19)22-20(23)12-11-16-7-3-2-4-8-16/h2-10,14-15,21H,11-13H2,1H3,(H,22,23)
InChIKeyLRQFLVUTLLNNBM-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.85
Rot. Bonds6

About N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide

N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide (PubChem CID 142880124) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
PubChem CID142880124
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC NameN-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
SMILESCC(Cc1c[nH]c2ccccc12)NC(=O)CCc1ccccc1
InChIInChI=1S/C20H22N2O/c1-15(13-17-14-21-19-10-6-5-9-18(17)19)22-20(23)12-11-16-7-3-2-4-8-16/h2-10,14-15,21H,11-13H2,1H3,(H,22,23)
InChIKeyLRQFLVUTLLNNBM-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(1H-indol-3-yl)propan-2-yl]butanamide
CID 5022905
(2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)-N-propan-2-ylpropanamide
CID 110286296
[2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium
CID 6929476
2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 582689
2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 1162947
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide
CID 53348431
sodium 3-[2-(3-sulfosulfanylpropanoylamino)propyl]-1H-indole
CID 126465875
3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide
CID 18074487
3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
methyl (2R)-3-(1H-indol-3-yl)-2-[3-(4-propan-2-ylphenyl)propanoylamino]propanoate
CID 55940416
3-(1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide
CID 97086843
benzyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate;formic acid
CID 171634662

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide (CID 142880124) is N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide is CC(Cc1c[nH]c2ccccc12)NC(=O)CCc1ccccc1.
What is the InChIKey of N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide?
The InChIKey is LRQFLVUTLLNNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-15(13-17-14-21-19-10-6-5-9-18(17)19)22-20(23)12-11-16-7-3-2-4-8-16/h2-10,14-15,21H,11-13H2,1H3,(H,22,23).
What are the key properties of N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide?
N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide has a molecular weight of 306.41 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 142880124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).