2-[(2-hydroxy-2-phenylacetyl)amino]-3-methylpentanamide

C14H20N2O3 — CID 110879934

IUPAC2-[(2-hydroxy-2-phenylacetyl)amino]-3-methylpentanamide
SMILESCCC(C)C(NC(=O)C(O)c1ccccc1)C(N)=O
InChIInChI=1S/C14H20N2O3/c1-3-9(2)11(13(15)18)16-14(19)12(17)10-7-5-4-6-8-10/h4-9,11-12,17H,3H2,1-2H3,(H2,15,18)(H,16,19)
InChIKeyVIRBHUGZAQNKJJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.74
Rot. Bonds6

About 2-[(2-hydroxy-2-phenylacetyl)amino]-3-methylpentanamide

2-[(2-hydroxy-2-phenylacetyl)amino]-3-methylpentanamide (PubChem CID 110879934) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-phenylacetyl)amino]-3-methylpentanamide.

Molecular Properties

Compound Name2-[(2-hydroxy-2-phenylacetyl)amino]-3-methylpentanamide
PubChem CID110879934
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[(2-hydroxy-2-phenylacetyl)amino]-3-methylpentanamide
SMILESCCC(C)C(NC(=O)C(O)c1ccccc1)C(N)=O
InChIInChI=1S/C14H20N2O3/c1-3-9(2)11(13(15)18)16-14(19)12(17)10-7-5-4-6-8-10/h4-9,11-12,17H,3H2,1-2H3,(H2,15,18)(H,16,19)
InChIKeyVIRBHUGZAQNKJJ-UHFFFAOYSA-N
XLogP0.74
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-hydroxy-2-phenylacetamide
CID 60674876
(2R)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]propanoic acid
CID 14503812
benzyl N-[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 4681743
(2S,3S)-3-methyl-2-[(2-phenylphenyl)carbamoylamino]pentanamide
CID 97307942
2-[[(2S,3S)-2-[[(3S,4S)-3-hydroxy-4-[[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-3-methylbutanoyl]amino]-5-phenylpentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid
CID 129035639
2-[(3-amino-2-phenylpropanoyl)amino]-3-methylbutanamide
CID 106344661
(2S)-2-[(2-amino-3-naphthalen-1-ylpropanoyl)amino]-3-methylpentanamide
CID 140518585
3-methyl-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentanamide
CID 175979048
3-methyl-2-[[2-(N-methylanilino)acetyl]amino]pentanamide
CID 86910444
N-(3,3-dimethylbutan-2-yl)-2-hydroxy-2-phenylacetamide
CID 111464644
2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 11565273

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-phenylacetyl)amino]-3-methylpentanamide?
The IUPAC name of 2-[(2-hydroxy-2-phenylacetyl)amino]-3-methylpentanamide (CID 110879934) is 2-[(2-hydroxy-2-phenylacetyl)amino]-3-methylpentanamide.
What is the SMILES notation for 2-[(2-hydroxy-2-phenylacetyl)amino]-3-methylpentanamide?
The canonical SMILES for 2-[(2-hydroxy-2-phenylacetyl)amino]-3-methylpentanamide is CCC(C)C(NC(=O)C(O)c1ccccc1)C(N)=O.
What is the InChIKey of 2-[(2-hydroxy-2-phenylacetyl)amino]-3-methylpentanamide?
The InChIKey is VIRBHUGZAQNKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-9(2)11(13(15)18)16-14(19)12(17)10-7-5-4-6-8-10/h4-9,11-12,17H,3H2,1-2H3,(H2,15,18)(H,16,19).
What are the key properties of 2-[(2-hydroxy-2-phenylacetyl)amino]-3-methylpentanamide?
2-[(2-hydroxy-2-phenylacetyl)amino]-3-methylpentanamide has a molecular weight of 264.32 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-phenylacetyl)amino]-3-methylpentanamide is sourced from PubChem (CID 110879934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).