N-hydroxy-2-[(2-hydroxy-2-phenylacetyl)-methylamino]-3-methylbutanamide

C14H20N2O4 — CID 23437756

IUPACN-hydroxy-2-[(2-hydroxy-2-phenylacetyl)-methylamino]-3-methylbutanamide
SMILESCC(C)C(C(=O)NO)N(C)C(=O)C(O)c1ccccc1
InChIInChI=1S/C14H20N2O4/c1-9(2)11(13(18)15-20)16(3)14(19)12(17)10-7-5-4-6-8-10/h4-9,11-12,17,20H,1-3H3,(H,15,18)
InChIKeyRLPJKHBHMIOZBH-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.71
Rot. Bonds5

About N-hydroxy-2-[(2-hydroxy-2-phenylacetyl)-methylamino]-3-methylbutanamide

N-hydroxy-2-[(2-hydroxy-2-phenylacetyl)-methylamino]-3-methylbutanamide (PubChem CID 23437756) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-hydroxy-2-[(2-hydroxy-2-phenylacetyl)-methylamino]-3-methylbutanamide.

Molecular Properties

Compound NameN-hydroxy-2-[(2-hydroxy-2-phenylacetyl)-methylamino]-3-methylbutanamide
PubChem CID23437756
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-hydroxy-2-[(2-hydroxy-2-phenylacetyl)-methylamino]-3-methylbutanamide
SMILESCC(C)C(C(=O)NO)N(C)C(=O)C(O)c1ccccc1
InChIInChI=1S/C14H20N2O4/c1-9(2)11(13(18)15-20)16(3)14(19)12(17)10-7-5-4-6-8-10/h4-9,11-12,17,20H,1-3H3,(H,15,18)
InChIKeyRLPJKHBHMIOZBH-UHFFFAOYSA-N
XLogP0.71
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-hydroxy-3-methyl-2-[methyl-(2-methyl-2-phenylpropanoyl)amino]butanamide
CID 23437760
N-(1-cyanopropan-2-yl)-2-hydroxy-N-methyl-2-phenylacetamide
CID 103687130
2-hydroxy-N',N'-dimethyl-2-phenylacetohydrazide
CID 11298492
3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid
CID 60989999
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2-hydroxy-2-phenylethyl)amino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide
CID 122201632
N-(3-aminopropyl)-2-hydroxy-N-methyl-2-phenylacetamide
CID 115318936
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
N-(3,3-dimethylbutan-2-yl)-2-hydroxy-2-phenylacetamide
CID 111464644
3-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]propanoic acid
CID 60832767
(2R)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]propanoic acid
CID 14503812
2-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]acetic acid
CID 60832237
acetic acid;N-benzyl-2-hydroxy-N-methyl-2-phenylacetamide
CID 67863072

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(2-hydroxy-2-phenylacetyl)-methylamino]-3-methylbutanamide?
The IUPAC name of N-hydroxy-2-[(2-hydroxy-2-phenylacetyl)-methylamino]-3-methylbutanamide (CID 23437756) is N-hydroxy-2-[(2-hydroxy-2-phenylacetyl)-methylamino]-3-methylbutanamide.
What is the SMILES notation for N-hydroxy-2-[(2-hydroxy-2-phenylacetyl)-methylamino]-3-methylbutanamide?
The canonical SMILES for N-hydroxy-2-[(2-hydroxy-2-phenylacetyl)-methylamino]-3-methylbutanamide is CC(C)C(C(=O)NO)N(C)C(=O)C(O)c1ccccc1.
What is the InChIKey of N-hydroxy-2-[(2-hydroxy-2-phenylacetyl)-methylamino]-3-methylbutanamide?
The InChIKey is RLPJKHBHMIOZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(2)11(13(18)15-20)16(3)14(19)12(17)10-7-5-4-6-8-10/h4-9,11-12,17,20H,1-3H3,(H,15,18).
What are the key properties of N-hydroxy-2-[(2-hydroxy-2-phenylacetyl)-methylamino]-3-methylbutanamide?
N-hydroxy-2-[(2-hydroxy-2-phenylacetyl)-methylamino]-3-methylbutanamide has a molecular weight of 280.32 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(2-hydroxy-2-phenylacetyl)-methylamino]-3-methylbutanamide is sourced from PubChem (CID 23437756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).