2-(3-methoxyphenyl)-N-pyrrol-1-ylacetamide

C13H14N2O2 — CID 123679557

IUPAC2-(3-methoxyphenyl)-N-pyrrol-1-ylacetamide
SMILESCOc1cccc(CC(=O)Nn2cccc2)c1
InChIInChI=1S/C13H14N2O2/c1-17-12-6-4-5-11(9-12)10-13(16)14-15-7-2-3-8-15/h2-9H,10H2,1H3,(H,14,16)
InChIKeyOPCMDDPYWXKMBW-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.81
Rot. Bonds4

About 2-(3-methoxyphenyl)-N-pyrrol-1-ylacetamide

2-(3-methoxyphenyl)-N-pyrrol-1-ylacetamide (PubChem CID 123679557) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-pyrrol-1-ylacetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-pyrrol-1-ylacetamide
PubChem CID123679557
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(3-methoxyphenyl)-N-pyrrol-1-ylacetamide
SMILESCOc1cccc(CC(=O)Nn2cccc2)c1
InChIInChI=1S/C13H14N2O2/c1-17-12-6-4-5-11(9-12)10-13(16)14-15-7-2-3-8-15/h2-9H,10H2,1H3,(H,14,16)
InChIKeyOPCMDDPYWXKMBW-UHFFFAOYSA-N
XLogP1.81
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide
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CID 139754173
N-[(2-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 115598846
N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 114310600
N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 81049875
2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
CID 43387533
2-(3-methoxyphenyl)-N-[2-(1,3-oxazol-4-yl)ethyl]acetamide
CID 110722006
2-(3-methoxyphenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 95588667
N-(3-iodopropyl)-2-(3-methoxyphenyl)acetamide
CID 114504420
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
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N-(3-hydroxyphenyl)-2-(3-methoxyphenyl)acetamide
CID 28739724

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-pyrrol-1-ylacetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-pyrrol-1-ylacetamide (CID 123679557) is 2-(3-methoxyphenyl)-N-pyrrol-1-ylacetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-pyrrol-1-ylacetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-pyrrol-1-ylacetamide is COc1cccc(CC(=O)Nn2cccc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-pyrrol-1-ylacetamide?
The InChIKey is OPCMDDPYWXKMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-17-12-6-4-5-11(9-12)10-13(16)14-15-7-2-3-8-15/h2-9H,10H2,1H3,(H,14,16).
What are the key properties of 2-(3-methoxyphenyl)-N-pyrrol-1-ylacetamide?
2-(3-methoxyphenyl)-N-pyrrol-1-ylacetamide has a molecular weight of 230.27 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-pyrrol-1-ylacetamide is sourced from PubChem (CID 123679557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).