N-(3-acetamidophenyl)-3-(1-methylpyrrol-2-yl)propanamide

C16H19N3O2 — CID 110700760

IUPACN-(3-acetamidophenyl)-3-(1-methylpyrrol-2-yl)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCc2cccn2C)c1
InChIInChI=1S/C16H19N3O2/c1-12(20)17-13-5-3-6-14(11-13)18-16(21)9-8-15-7-4-10-19(15)2/h3-7,10-11H,8-9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyMLPTXNIEPBFTSF-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.55
Rot. Bonds5

About N-(3-acetamidophenyl)-3-(1-methylpyrrol-2-yl)propanamide

N-(3-acetamidophenyl)-3-(1-methylpyrrol-2-yl)propanamide (PubChem CID 110700760) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-(1-methylpyrrol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-(1-methylpyrrol-2-yl)propanamide
PubChem CID110700760
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(3-acetamidophenyl)-3-(1-methylpyrrol-2-yl)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCc2cccn2C)c1
InChIInChI=1S/C16H19N3O2/c1-12(20)17-13-5-3-6-14(11-13)18-16(21)9-8-15-7-4-10-19(15)2/h3-7,10-11H,8-9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyMLPTXNIEPBFTSF-UHFFFAOYSA-N
XLogP2.55
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-3-pyrrol-1-ylpropanamide
CID 110688727
N-(2-acetamidoethyl)-3-(1-methylpyrrol-2-yl)propanamide
CID 110700711
N-(4-ethoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide
CID 110700746
3-(1-methylpyrrol-2-yl)-N-pyrimidin-2-ylpropanamide
CID 110700772
4-(3-acetamidoanilino)-4-oxobutanoic acid
CID 825460
N-(3-acetamidophenyl)-3-bromopropanamide
CID 115571578
N-(3-acetamidophenyl)-3-(4-methoxyphenyl)propanamide
CID 2671013
N-(3-acetamidophenyl)-2-sulfanylacetamide
CID 60650093
N-butyl-3-(1-methylpyrrol-2-yl)propanamide
CID 110700635
N-(3-acetamidophenyl)-3-(N-methylanilino)propanamide
CID 109034676
methyl N-[3-[(1-methylpyrrol-2-yl)methylamino]phenyl]carbamate
CID 55039229
N-(3-acetamidophenyl)-4-oxo-4-phenylbutanamide
CID 17418766

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-(1-methylpyrrol-2-yl)propanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-(1-methylpyrrol-2-yl)propanamide (CID 110700760) is N-(3-acetamidophenyl)-3-(1-methylpyrrol-2-yl)propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-(1-methylpyrrol-2-yl)propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-(1-methylpyrrol-2-yl)propanamide is CC(=O)Nc1cccc(NC(=O)CCc2cccn2C)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-(1-methylpyrrol-2-yl)propanamide?
The InChIKey is MLPTXNIEPBFTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12(20)17-13-5-3-6-14(11-13)18-16(21)9-8-15-7-4-10-19(15)2/h3-7,10-11H,8-9H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-(3-acetamidophenyl)-3-(1-methylpyrrol-2-yl)propanamide?
N-(3-acetamidophenyl)-3-(1-methylpyrrol-2-yl)propanamide has a molecular weight of 285.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-(1-methylpyrrol-2-yl)propanamide is sourced from PubChem (CID 110700760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).