3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide

C15H23NO2 — CID 94665559

IUPAC3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
SMILESCOc1ccc(CCC(=O)N[C@H](C)C(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-11(2)12(3)16-15(17)10-7-13-5-8-14(18-4)9-6-13/h5-6,8-9,11-12H,7,10H2,1-4H3,(H,16,17)/t12-/m1/s1
InChIKeyXLLNMRBXOGQNMY-GFCCVEGCSA-N
MW249.35 g/mol
LogP2.79
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide

3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide (PubChem CID 94665559) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
PubChem CID94665559
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
SMILESCOc1ccc(CCC(=O)N[C@H](C)C(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-11(2)12(3)16-15(17)10-7-13-5-8-14(18-4)9-6-13/h5-6,8-9,11-12H,7,10H2,1-4H3,(H,16,17)/t12-/m1/s1
InChIKeyXLLNMRBXOGQNMY-GFCCVEGCSA-N
XLogP2.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 79256223
N-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975
N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 62093484
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide
CID 40592074
(2S)-2-[4-(4-methoxyphenyl)butanoylamino]-3-methylbutanoic acid
CID 94966651
3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide
CID 43048906
N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 93032401
(2S)-2-[3-(4-methoxyphenyl)propanoylamino]butanedioic acid
CID 112732957
3-(4-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 51187923
3-(4-methoxyphenyl)-N-[(2R)-1-phenoxypropan-2-yl]propanamide
CID 94625030
3-(4-methoxyphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 42563582
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 134053548

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide (CID 94665559) is 3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide is COc1ccc(CCC(=O)N[C@H](C)C(C)C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide?
The InChIKey is XLLNMRBXOGQNMY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)12(3)16-15(17)10-7-13-5-8-14(18-4)9-6-13/h5-6,8-9,11-12H,7,10H2,1-4H3,(H,16,17)/t12-/m1/s1.
What are the key properties of 3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide?
3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide has a molecular weight of 249.35 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide is sourced from PubChem (CID 94665559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).