N-[(4-methoxyphenyl)carbamoyl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide

C19H24N4O3 — CID 17434998

IUPACN-[(4-methoxyphenyl)carbamoyl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)NC(=O)CN2CCCC2c2cccn2C)cc1
InChIInChI=1S/C19H24N4O3/c1-22-11-3-5-16(22)17-6-4-12-23(17)13-18(24)21-19(25)20-14-7-9-15(26-2)10-8-14/h3,5,7-11,17H,4,6,12-13H2,1-2H3,(H2,20,21,24,25)
InChIKeyNEIBRCXUNSNDTD-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.52
Rot. Bonds5

About N-[(4-methoxyphenyl)carbamoyl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide

N-[(4-methoxyphenyl)carbamoyl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide (PubChem CID 17434998) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)carbamoyl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)carbamoyl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
PubChem CID17434998
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[(4-methoxyphenyl)carbamoyl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)NC(=O)CN2CCCC2c2cccn2C)cc1
InChIInChI=1S/C19H24N4O3/c1-22-11-3-5-16(22)17-6-4-12-23(17)13-18(24)21-19(25)20-14-7-9-15(26-2)10-8-14/h3,5,7-11,17H,4,6,12-13H2,1-2H3,(H2,20,21,24,25)
InChIKeyNEIBRCXUNSNDTD-UHFFFAOYSA-N
XLogP2.52
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8973188
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 24596121
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435
N,N-diethyl-4-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 8974677
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8976470
N-(4-fluorophenyl)-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 8976718
N-(4-fluorophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 8976713
N-(3-cyanophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8972880
N-(2-methoxy-5-nitrophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8973112
2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide
CID 8976439
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 78942403
1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441727

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)carbamoyl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)carbamoyl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide (CID 17434998) is N-[(4-methoxyphenyl)carbamoyl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)carbamoyl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)carbamoyl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide is COc1ccc(NC(=O)NC(=O)CN2CCCC2c2cccn2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)carbamoyl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is NEIBRCXUNSNDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-22-11-3-5-16(22)17-6-4-12-23(17)13-18(24)21-19(25)20-14-7-9-15(26-2)10-8-14/h3,5,7-11,17H,4,6,12-13H2,1-2H3,(H2,20,21,24,25).
What are the key properties of N-[(4-methoxyphenyl)carbamoyl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
N-[(4-methoxyphenyl)carbamoyl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 356.43 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)carbamoyl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 17434998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).