(2S)-N-[(2S)-1-methoxypropan-2-yl]-2-(4-methylphenoxy)butanamide

C15H23NO3 — CID 9172678

IUPAC(2S)-N-[(2S)-1-methoxypropan-2-yl]-2-(4-methylphenoxy)butanamide
SMILESCC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)COC
InChIInChI=1S/C15H23NO3/c1-5-14(15(17)16-12(3)10-18-4)19-13-8-6-11(2)7-9-13/h6-9,12,14H,5,10H2,1-4H3,(H,16,17)/t12-,14-/m0/s1
InChIKeyZTXZZSUCLQVGOW-JSGCOSHPSA-N
MW265.35 g/mol
LogP2.30
Rot. Bonds7

About (2S)-N-[(2S)-1-methoxypropan-2-yl]-2-(4-methylphenoxy)butanamide

(2S)-N-[(2S)-1-methoxypropan-2-yl]-2-(4-methylphenoxy)butanamide (PubChem CID 9172678) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-methoxypropan-2-yl]-2-(4-methylphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-methoxypropan-2-yl]-2-(4-methylphenoxy)butanamide
PubChem CID9172678
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(2S)-N-[(2S)-1-methoxypropan-2-yl]-2-(4-methylphenoxy)butanamide
SMILESCC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)COC
InChIInChI=1S/C15H23NO3/c1-5-14(15(17)16-12(3)10-18-4)19-13-8-6-11(2)7-9-13/h6-9,12,14H,5,10H2,1-4H3,(H,16,17)/t12-,14-/m0/s1
InChIKeyZTXZZSUCLQVGOW-JSGCOSHPSA-N
XLogP2.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(2S)-1-methoxypropan-2-yl]-2-(4-methylphenoxy)butanamide 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

(2S)-2-(4-methylphenoxy)-N-[(2S)-pentan-2-yl]butanamide
CID 9179988
N-[1-(4-methylphenoxy)propan-2-yl]-2-phenoxybutanamide
CID 132651239
2-(4-methylphenoxy)-N-[2-[2-(4-methylphenoxy)butanoylamino]propyl]butanamide
CID 4980761
(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
CID 40796762
(2R)-N-methyl-2-(4-methylphenoxy)butanamide
CID 40742854
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]butanamide
CID 125065148
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]butanamide
CID 125065149
N-[1-(4-methoxyphenoxy)propan-2-yl]-2-phenoxybutanamide
CID 132652458
N-butan-2-yl-2-(4-methylphenoxy)propanamide
CID 42909893
(2S)-N-(3-methylbutyl)-2-(4-methylphenoxy)butanamide
CID 9180328
N-[1-(2-methylphenoxy)propan-2-yl]-2-phenoxybutanamide
CID 132651227
(2S)-N-(2,4-dimethylpentan-3-yl)-2-(4-methoxyphenoxy)butanamide
CID 124561337

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-methoxypropan-2-yl]-2-(4-methylphenoxy)butanamide?
The IUPAC name of (2S)-N-[(2S)-1-methoxypropan-2-yl]-2-(4-methylphenoxy)butanamide (CID 9172678) is (2S)-N-[(2S)-1-methoxypropan-2-yl]-2-(4-methylphenoxy)butanamide.
What is the SMILES notation for (2S)-N-[(2S)-1-methoxypropan-2-yl]-2-(4-methylphenoxy)butanamide?
The canonical SMILES for (2S)-N-[(2S)-1-methoxypropan-2-yl]-2-(4-methylphenoxy)butanamide is CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)COC.
What is the InChIKey of (2S)-N-[(2S)-1-methoxypropan-2-yl]-2-(4-methylphenoxy)butanamide?
The InChIKey is ZTXZZSUCLQVGOW-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-14(15(17)16-12(3)10-18-4)19-13-8-6-11(2)7-9-13/h6-9,12,14H,5,10H2,1-4H3,(H,16,17)/t12-,14-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-methoxypropan-2-yl]-2-(4-methylphenoxy)butanamide?
(2S)-N-[(2S)-1-methoxypropan-2-yl]-2-(4-methylphenoxy)butanamide has a molecular weight of 265.35 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-methoxypropan-2-yl]-2-(4-methylphenoxy)butanamide is sourced from PubChem (CID 9172678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).