N-[(2S)-1-hydroxybutan-2-yl]-2-(3-methylphenoxy)propanamide

C14H21NO3 — CID 104981564

IUPACN-[(2S)-1-hydroxybutan-2-yl]-2-(3-methylphenoxy)propanamide
SMILESCC[C@@H](CO)NC(=O)C(C)Oc1cccc(C)c1
InChIInChI=1S/C14H21NO3/c1-4-12(9-16)15-14(17)11(3)18-13-7-5-6-10(2)8-13/h5-8,11-12,16H,4,9H2,1-3H3,(H,15,17)/t11?,12-/m0/s1
InChIKeyMFSKHOZNCRDVFS-KIYNQFGBSA-N
MW251.33 g/mol
LogP1.65
Rot. Bonds6

About N-[(2S)-1-hydroxybutan-2-yl]-2-(3-methylphenoxy)propanamide

N-[(2S)-1-hydroxybutan-2-yl]-2-(3-methylphenoxy)propanamide (PubChem CID 104981564) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]-2-(3-methylphenoxy)propanamide
PubChem CID104981564
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]-2-(3-methylphenoxy)propanamide
SMILESCC[C@@H](CO)NC(=O)C(C)Oc1cccc(C)c1
InChIInChI=1S/C14H21NO3/c1-4-12(9-16)15-14(17)11(3)18-13-7-5-6-10(2)8-13/h5-8,11-12,16H,4,9H2,1-3H3,(H,15,17)/t11?,12-/m0/s1
InChIKeyMFSKHOZNCRDVFS-KIYNQFGBSA-N
XLogP1.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-dihydroxypropan-2-yl)-2-(3-methylphenoxy)propanamide
CID 65315418
N-[(2R)-1-hydroxybutan-2-yl]-2-phenoxypropanamide
CID 103920159
2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417847
(2R)-N-(2,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)propanamide
CID 124561386
N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 103920282
2-(3,4-dichlorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 110895980
N-[1-(2,4-dimethylphenyl)propyl]-2-(3-methylphenoxy)propanamide
CID 132651072
2-(4-chlorophenoxy)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920103
(2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide
CID 94087042
N-benzhydryl-2-(3-methylphenoxy)propanamide
CID 15978225
N-(1-hydroxybutan-2-yl)-4-(3-methylphenoxy)butanamide
CID 43390335
(2R)-2-(3-methylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 92674586

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-2-(3-methylphenoxy)propanamide (CID 104981564) is N-[(2S)-1-hydroxybutan-2-yl]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]-2-(3-methylphenoxy)propanamide is CC[C@@H](CO)NC(=O)C(C)Oc1cccc(C)c1.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]-2-(3-methylphenoxy)propanamide?
The InChIKey is MFSKHOZNCRDVFS-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-12(9-16)15-14(17)11(3)18-13-7-5-6-10(2)8-13/h5-8,11-12,16H,4,9H2,1-3H3,(H,15,17)/t11?,12-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]-2-(3-methylphenoxy)propanamide?
N-[(2S)-1-hydroxybutan-2-yl]-2-(3-methylphenoxy)propanamide has a molecular weight of 251.33 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 104981564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).