N-hydroxy-2,2,3-trimethyl-4-phenylbutanamide

C13H19NO2 — CID 175773840

IUPACN-hydroxy-2,2,3-trimethyl-4-phenylbutanamide
SMILESCC(Cc1ccccc1)C(C)(C)C(=O)NO
InChIInChI=1S/C13H19NO2/c1-10(13(2,3)12(15)14-16)9-11-7-5-4-6-8-11/h4-8,10,16H,9H2,1-3H3,(H,14,15)
InChIKeyPKLKFKBQISFRSA-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.40
Rot. Bonds4

About N-hydroxy-2,2,3-trimethyl-4-phenylbutanamide

N-hydroxy-2,2,3-trimethyl-4-phenylbutanamide (PubChem CID 175773840) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-hydroxy-2,2,3-trimethyl-4-phenylbutanamide.

Molecular Properties

Compound NameN-hydroxy-2,2,3-trimethyl-4-phenylbutanamide
PubChem CID175773840
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-hydroxy-2,2,3-trimethyl-4-phenylbutanamide
SMILESCC(Cc1ccccc1)C(C)(C)C(=O)NO
InChIInChI=1S/C13H19NO2/c1-10(13(2,3)12(15)14-16)9-11-7-5-4-6-8-11/h4-8,10,16H,9H2,1-3H3,(H,14,15)
InChIKeyPKLKFKBQISFRSA-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2,3-dimethyl-2,4-diphenylbutanamide
CID 67173479
2-bromo-2-methyl-N-(1-phenylpropan-2-yl)propanamide
CID 115649433
tert-butyl 2-methyl-3-phenylpropanoate;propane
CID 145135005
2-amino-3,3,3-trifluoro-2-methyl-N-(1-phenylpropan-2-yl)propanamide
CID 79810676
N,2-dihydroxy-2-methyl-4-phenylbutanamide
CID 18686340
tert-butyl N-[1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 15225080
3-benzyl-2,2-dimethyl-4-phenylbutanamide
CID 175211278
tert-butyl (2R)-2-(hydroxyamino)-3-phenylpropanoate;oxalic acid
CID 46867571
2-amino-2-phenyl-N-(1-phenylpropan-2-yl)propanamide
CID 63011622
tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
CID 10491812
N,2,2-trimethyl-3-(1-phenylpropan-2-ylamino)propanamide
CID 106275795
tert-butyl (3S)-3-(hydroxyamino)-2-oxo-4-phenylbutanoate
CID 118428762

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2,2,3-trimethyl-4-phenylbutanamide?
The IUPAC name of N-hydroxy-2,2,3-trimethyl-4-phenylbutanamide (CID 175773840) is N-hydroxy-2,2,3-trimethyl-4-phenylbutanamide.
What is the SMILES notation for N-hydroxy-2,2,3-trimethyl-4-phenylbutanamide?
The canonical SMILES for N-hydroxy-2,2,3-trimethyl-4-phenylbutanamide is CC(Cc1ccccc1)C(C)(C)C(=O)NO.
What is the InChIKey of N-hydroxy-2,2,3-trimethyl-4-phenylbutanamide?
The InChIKey is PKLKFKBQISFRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(13(2,3)12(15)14-16)9-11-7-5-4-6-8-11/h4-8,10,16H,9H2,1-3H3,(H,14,15).
What are the key properties of N-hydroxy-2,2,3-trimethyl-4-phenylbutanamide?
N-hydroxy-2,2,3-trimethyl-4-phenylbutanamide has a molecular weight of 221.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2,2,3-trimethyl-4-phenylbutanamide is sourced from PubChem (CID 175773840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).