3-(4-methoxyphenyl)-N-propan-2-ylpropanamide

C13H19NO2 — CID 897290

IUPAC3-(4-methoxyphenyl)-N-propan-2-ylpropanamide
SMILESCOc1ccc(CCC(=O)NC(C)C)cc1
InChIInChI=1S/C13H19NO2/c1-10(2)14-13(15)9-6-11-4-7-12(16-3)8-5-11/h4-5,7-8,10H,6,9H2,1-3H3,(H,14,15)
InChIKeyXEQNFQJPYDZROA-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.15
Rot. Bonds5

About 3-(4-methoxyphenyl)-N-propan-2-ylpropanamide

3-(4-methoxyphenyl)-N-propan-2-ylpropanamide (PubChem CID 897290) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-propan-2-ylpropanamide
PubChem CID897290
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(4-methoxyphenyl)-N-propan-2-ylpropanamide
SMILESCOc1ccc(CCC(=O)NC(C)C)cc1
InChIInChI=1S/C13H19NO2/c1-10(2)14-13(15)9-6-11-4-7-12(16-3)8-5-11/h4-5,7-8,10H,6,9H2,1-3H3,(H,14,15)
InChIKeyXEQNFQJPYDZROA-UHFFFAOYSA-N
XLogP2.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-propan-2-ylpropanamide (CID 897290) is 3-(4-methoxyphenyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-propan-2-ylpropanamide is COc1ccc(CCC(=O)NC(C)C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-propan-2-ylpropanamide?
The InChIKey is XEQNFQJPYDZROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)14-13(15)9-6-11-4-7-12(16-3)8-5-11/h4-5,7-8,10H,6,9H2,1-3H3,(H,14,15).
What are the key properties of 3-(4-methoxyphenyl)-N-propan-2-ylpropanamide?
3-(4-methoxyphenyl)-N-propan-2-ylpropanamide has a molecular weight of 221.30 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 897290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).