1-acetyl-N-[1-[2-(1H-indol-3-yl)ethenylamino]-2-methyl-1-oxopropan-2-yl]-N-phenylpyrrolidine-2-carboxamide

C27H30N4O3 — CID 154386184

IUPAC1-acetyl-N-[1-[2-(1H-indol-3-yl)ethenylamino]-2-methyl-1-oxopropan-2-yl]-N-phenylpyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)N(c1ccccc1)C(C)(C)C(=O)NC=Cc1c[nH]c2ccccc12
InChIInChI=1S/C27H30N4O3/c1-19(32)30-17-9-14-24(30)25(33)31(21-10-5-4-6-11-21)27(2,3)26(34)28-16-15-20-18-29-23-13-8-7-12-22(20)23/h4-8,10-13,15-16,18,24,29H,9,14,17H2,1-3H3,(H,28,34)
InChIKeyHGEZGMFDIGCSPF-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.08
Rot. Bonds6

About 1-acetyl-N-[1-[2-(1H-indol-3-yl)ethenylamino]-2-methyl-1-oxopropan-2-yl]-N-phenylpyrrolidine-2-carboxamide

1-acetyl-N-[1-[2-(1H-indol-3-yl)ethenylamino]-2-methyl-1-oxopropan-2-yl]-N-phenylpyrrolidine-2-carboxamide (PubChem CID 154386184) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 1-acetyl-N-[1-[2-(1H-indol-3-yl)ethenylamino]-2-methyl-1-oxopropan-2-yl]-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[1-[2-(1H-indol-3-yl)ethenylamino]-2-methyl-1-oxopropan-2-yl]-N-phenylpyrrolidine-2-carboxamide
PubChem CID154386184
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name1-acetyl-N-[1-[2-(1H-indol-3-yl)ethenylamino]-2-methyl-1-oxopropan-2-yl]-N-phenylpyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)N(c1ccccc1)C(C)(C)C(=O)NC=Cc1c[nH]c2ccccc12
InChIInChI=1S/C27H30N4O3/c1-19(32)30-17-9-14-24(30)25(33)31(21-10-5-4-6-11-21)27(2,3)26(34)28-16-15-20-18-29-23-13-8-7-12-22(20)23/h4-8,10-13,15-16,18,24,29H,9,14,17H2,1-3H3,(H,28,34)
InChIKeyHGEZGMFDIGCSPF-UHFFFAOYSA-N
XLogP4.08
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-acetyl-N-[1-[2-(1H-indol-3-yl)ethenylamino]-2-methyl-1-oxopropan-2-yl]-N-phenylpyrrolidine-2-carboxamide 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

1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]pyrrolidine-2-carboxamide
CID 154200437
1-(1H-indole-3-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 60958469
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide
CID 54348960
(2R)-N,N-diethyl-1-[3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide
CID 95196011
1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 3493358
1-(1H-indol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 167910792
(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonyl-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 68801617
tert-butyl (2R)-2-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 36769023
N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide
CID 73338847
1-acetyl-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide
CID 86911818
2-acetamido-N-[1-[[(Z)-2-(1H-indol-3-yl)ethenyl]amino]-1-oxo-3-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 11443575
(2S)-N,N-diphenyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 10618638

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[1-[2-(1H-indol-3-yl)ethenylamino]-2-methyl-1-oxopropan-2-yl]-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-[1-[2-(1H-indol-3-yl)ethenylamino]-2-methyl-1-oxopropan-2-yl]-N-phenylpyrrolidine-2-carboxamide (CID 154386184) is 1-acetyl-N-[1-[2-(1H-indol-3-yl)ethenylamino]-2-methyl-1-oxopropan-2-yl]-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[1-[2-(1H-indol-3-yl)ethenylamino]-2-methyl-1-oxopropan-2-yl]-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[1-[2-(1H-indol-3-yl)ethenylamino]-2-methyl-1-oxopropan-2-yl]-N-phenylpyrrolidine-2-carboxamide is CC(=O)N1CCCC1C(=O)N(c1ccccc1)C(C)(C)C(=O)NC=Cc1c[nH]c2ccccc12.
What is the InChIKey of 1-acetyl-N-[1-[2-(1H-indol-3-yl)ethenylamino]-2-methyl-1-oxopropan-2-yl]-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is HGEZGMFDIGCSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-19(32)30-17-9-14-24(30)25(33)31(21-10-5-4-6-11-21)27(2,3)26(34)28-16-15-20-18-29-23-13-8-7-12-22(20)23/h4-8,10-13,15-16,18,24,29H,9,14,17H2,1-3H3,(H,28,34).
What are the key properties of 1-acetyl-N-[1-[2-(1H-indol-3-yl)ethenylamino]-2-methyl-1-oxopropan-2-yl]-N-phenylpyrrolidine-2-carboxamide?
1-acetyl-N-[1-[2-(1H-indol-3-yl)ethenylamino]-2-methyl-1-oxopropan-2-yl]-N-phenylpyrrolidine-2-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[1-[2-(1H-indol-3-yl)ethenylamino]-2-methyl-1-oxopropan-2-yl]-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 154386184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).