N-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide

C14H16N2O2 — CID 3245733

IUPACN-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1ccc(NC(=O)CCn2cccc2)cc1
InChIInChI=1S/C14H16N2O2/c1-18-13-6-4-12(5-7-13)15-14(17)8-11-16-9-2-3-10-16/h2-7,9-10H,8,11H2,1H3,(H,15,17)
InChIKeyWZXOVWAWCFKORW-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.53
Rot. Bonds5

About N-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide

N-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 3245733) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
PubChem CID3245733
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1ccc(NC(=O)CCn2cccc2)cc1
InChIInChI=1S/C14H16N2O2/c1-18-13-6-4-12(5-7-13)15-14(17)8-11-16-9-2-3-10-16/h2-7,9-10H,8,11H2,1H3,(H,15,17)
InChIKeyWZXOVWAWCFKORW-UHFFFAOYSA-N
XLogP2.53
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide (CID 3245733) is N-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide is COc1ccc(NC(=O)CCn2cccc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is WZXOVWAWCFKORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-18-13-6-4-12(5-7-13)15-14(17)8-11-16-9-2-3-10-16/h2-7,9-10H,8,11H2,1H3,(H,15,17).
What are the key properties of N-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
N-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 244.29 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 3245733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).