N,2-dihydroxy-4-phenylbutanamide

C10H13NO3 — CID 11458241

IUPACN,2-dihydroxy-4-phenylbutanamide
SMILESO=C(NO)C(O)CCc1ccccc1
InChIInChI=1S/C10H13NO3/c12-9(10(13)11-14)7-6-8-4-2-1-3-5-8/h1-5,9,12,14H,6-7H2,(H,11,13)
InChIKeyCOLMTVCBHITPMR-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.49
Rot. Bonds4

About N,2-dihydroxy-4-phenylbutanamide

N,2-dihydroxy-4-phenylbutanamide (PubChem CID 11458241) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is N,2-dihydroxy-4-phenylbutanamide.

Molecular Properties

Compound NameN,2-dihydroxy-4-phenylbutanamide
PubChem CID11458241
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC NameN,2-dihydroxy-4-phenylbutanamide
SMILESO=C(NO)C(O)CCc1ccccc1
InChIInChI=1S/C10H13NO3/c12-9(10(13)11-14)7-6-8-4-2-1-3-5-8/h1-5,9,12,14H,6-7H2,(H,11,13)
InChIKeyCOLMTVCBHITPMR-UHFFFAOYSA-N
XLogP0.49
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-2-hydroxy-4-phenylbutanoate
CID 10878023
methyl (2S)-2-[[(2R)-2-hydroxy-4-phenylbutanoyl]amino]propanoate
CID 101200785
ethyl (2R)-2-hydroxy-4-phenylbutanoate
CID 2733848
(4S)-4-hydroxy-3-methylidene-6-phenylhexan-2-one
CID 100977771
(2S)-2-hydroxy-4-phenyl-N-(pyridin-3-ylmethyl)butanamide
CID 169192519
(2S)-3-[(2-amino-4-phenylbutanoyl)amino]-2-hydroxypropanoic acid
CID 107835779
(3R)-3-amino-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-5-phenylpentanamide
CID 59697686
2-amino-3-hydroxy-5-phenylpent-1-en-1-one
CID 176525467
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
2-hydroxy-N-(2-hydroxy-1-phenylethyl)-5-phenylpentanamide
CID 129208132
3-hydroxy-1-phenylnonan-4-one
CID 135039078

Frequently Asked Questions

What is the IUPAC name of N,2-dihydroxy-4-phenylbutanamide?
The IUPAC name of N,2-dihydroxy-4-phenylbutanamide (CID 11458241) is N,2-dihydroxy-4-phenylbutanamide.
What is the SMILES notation for N,2-dihydroxy-4-phenylbutanamide?
The canonical SMILES for N,2-dihydroxy-4-phenylbutanamide is O=C(NO)C(O)CCc1ccccc1.
What is the InChIKey of N,2-dihydroxy-4-phenylbutanamide?
The InChIKey is COLMTVCBHITPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c12-9(10(13)11-14)7-6-8-4-2-1-3-5-8/h1-5,9,12,14H,6-7H2,(H,11,13).
What are the key properties of N,2-dihydroxy-4-phenylbutanamide?
N,2-dihydroxy-4-phenylbutanamide has a molecular weight of 195.22 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dihydroxy-4-phenylbutanamide is sourced from PubChem (CID 11458241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).