N-(3-acetamidophenyl)-3-pyrrol-1-ylpropanamide

C15H17N3O2 — CID 110688727

IUPACN-(3-acetamidophenyl)-3-pyrrol-1-ylpropanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCn2cccc2)c1
InChIInChI=1S/C15H17N3O2/c1-12(19)16-13-5-4-6-14(11-13)17-15(20)7-10-18-8-2-3-9-18/h2-6,8-9,11H,7,10H2,1H3,(H,16,19)(H,17,20)
InChIKeyIBHFCRMWMLOZOY-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.48
Rot. Bonds5

About N-(3-acetamidophenyl)-3-pyrrol-1-ylpropanamide

N-(3-acetamidophenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 110688727) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-pyrrol-1-ylpropanamide
PubChem CID110688727
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(3-acetamidophenyl)-3-pyrrol-1-ylpropanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCn2cccc2)c1
InChIInChI=1S/C15H17N3O2/c1-12(19)16-13-5-4-6-14(11-13)17-15(20)7-10-18-8-2-3-9-18/h2-6,8-9,11H,7,10H2,1H3,(H,16,19)(H,17,20)
InChIKeyIBHFCRMWMLOZOY-UHFFFAOYSA-N
XLogP2.48
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(3-acetamidophenyl)-3-bromopropanamide
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N-(3-acetamidophenyl)-3-(1-methylpyrrol-2-yl)propanamide
CID 110700760
N-[3-(dimethylamino)-4-methylphenyl]-3-pyrrol-1-ylpropanamide
CID 46343165
N-[3-(1-methylimidazole-2-carbonyl)phenyl]-3-pyrrol-1-ylpropanamide
CID 125433246
N-(3-acetamidophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686933
N-(3-acetamidophenyl)-2-sulfanylacetamide
CID 60650093
N-(3-acetamidophenyl)-3-(N-methylanilino)propanamide
CID 109034676
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(3-acetamidophenyl)propanamide
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N-(3-acetamidophenyl)-3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-pyrrol-1-ylpropanamide (CID 110688727) is N-(3-acetamidophenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-pyrrol-1-ylpropanamide is CC(=O)Nc1cccc(NC(=O)CCn2cccc2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is IBHFCRMWMLOZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-12(19)16-13-5-4-6-14(11-13)17-15(20)7-10-18-8-2-3-9-18/h2-6,8-9,11H,7,10H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-(3-acetamidophenyl)-3-pyrrol-1-ylpropanamide?
N-(3-acetamidophenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 271.32 g/mol, XLogP of 2.48, 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-pyrrol-1-ylpropanamide is sourced from PubChem (CID 110688727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).