N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide

C14H21NO3 — CID 93032401

IUPACN-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide
SMILESCC[C@@H](CO)NC(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C14H21NO3/c1-3-12(10-16)15-14(17)9-6-11-4-7-13(18-2)8-5-11/h4-5,7-8,12,16H,3,6,9-10H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyDVVKCNUFDZWNDF-LBPRGKRZSA-N
MW251.33 g/mol
LogP1.51
Rot. Bonds7

About N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide

N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide (PubChem CID 93032401) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide
PubChem CID93032401
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide
SMILESCC[C@@H](CO)NC(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C14H21NO3/c1-3-12(10-16)15-14(17)9-6-11-4-7-13(18-2)8-5-11/h4-5,7-8,12,16H,3,6,9-10H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyDVVKCNUFDZWNDF-LBPRGKRZSA-N
XLogP1.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920079
N-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975
N-(1-hydroxy-3-methylbutan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 79256223
N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 65315308
N-(1-aminopentan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 65191439
N-(1-bromo-3-methoxypropan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 114155384
3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 94665559
3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide
CID 43427720
3-(4-chlorophenyl)-N-pentan-3-ylpropanamide
CID 94500233
(2S)-2-[3-(4-methoxyphenyl)propanoylamino]pentanoic acid
CID 107563743
N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 62093484
(2S)-2-[3-(4-methoxyphenyl)propanoylamino]butanedioic acid
CID 112732957

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide (CID 93032401) is N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide is CC[C@@H](CO)NC(=O)CCc1ccc(OC)cc1.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is DVVKCNUFDZWNDF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-12(10-16)15-14(17)9-6-11-4-7-13(18-2)8-5-11/h4-5,7-8,12,16H,3,6,9-10H2,1-2H3,(H,15,17)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide?
N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 251.33 g/mol, XLogP of 1.51, 7 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]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 93032401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).