(2R)-N-(4-chlorophenyl)-2-(2,2-dimethylpropanoylamino)oxy-4-methylpentanamide

C17H25ClN2O3 — CID 11121385

IUPAC(2R)-N-(4-chlorophenyl)-2-(2,2-dimethylpropanoylamino)oxy-4-methylpentanamide
SMILESCC(C)C[C@@H](ONC(=O)C(C)(C)C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O3/c1-11(2)10-14(23-20-16(22)17(3,4)5)15(21)19-13-8-6-12(18)7-9-13/h6-9,11,14H,10H2,1-5H3,(H,19,21)(H,20,22)/t14-/m1/s1
InChIKeyCPSJCZBBUFMZEK-CQSZACIVSA-N
MW340.85 g/mol
LogP3.79
Rot. Bonds6

About (2R)-N-(4-chlorophenyl)-2-(2,2-dimethylpropanoylamino)oxy-4-methylpentanamide

(2R)-N-(4-chlorophenyl)-2-(2,2-dimethylpropanoylamino)oxy-4-methylpentanamide (PubChem CID 11121385) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is (2R)-N-(4-chlorophenyl)-2-(2,2-dimethylpropanoylamino)oxy-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-N-(4-chlorophenyl)-2-(2,2-dimethylpropanoylamino)oxy-4-methylpentanamide
PubChem CID11121385
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name(2R)-N-(4-chlorophenyl)-2-(2,2-dimethylpropanoylamino)oxy-4-methylpentanamide
SMILESCC(C)C[C@@H](ONC(=O)C(C)(C)C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O3/c1-11(2)10-14(23-20-16(22)17(3,4)5)15(21)19-13-8-6-12(18)7-9-13/h6-9,11,14H,10H2,1-5H3,(H,19,21)(H,20,22)/t14-/m1/s1
InChIKeyCPSJCZBBUFMZEK-CQSZACIVSA-N
XLogP3.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
2-amino-N-(4-chlorophenyl)-3-methylbutanamide
CID 18994324
(2R)-2-amino-N-(4-chlorophenyl)propanamide
CID 7183165
[3-[(4-chlorophenyl)carbamoyl]-5-methylhexyl]phosphonic acid
CID 162738984
ethyl 4-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoyl]amino]benzoate
CID 6453882
(2R)-2-amino-N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide
CID 79011946
(2R)-4-methyl-2-(4-methyl-2-oxopentoxy)-N-phenylpentanamide
CID 157220940
2,4-dimethyl-N-(4-methylphenyl)pentanamide
CID 170275837
N-[4-[(3-amino-2-methylpropanoyl)amino]phenyl]-2,2-dimethylpropanamide
CID 62668929
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 7782489
N-(4-chlorophenyl)-2-iodopropanamide
CID 102547197

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chlorophenyl)-2-(2,2-dimethylpropanoylamino)oxy-4-methylpentanamide?
The IUPAC name of (2R)-N-(4-chlorophenyl)-2-(2,2-dimethylpropanoylamino)oxy-4-methylpentanamide (CID 11121385) is (2R)-N-(4-chlorophenyl)-2-(2,2-dimethylpropanoylamino)oxy-4-methylpentanamide.
What is the SMILES notation for (2R)-N-(4-chlorophenyl)-2-(2,2-dimethylpropanoylamino)oxy-4-methylpentanamide?
The canonical SMILES for (2R)-N-(4-chlorophenyl)-2-(2,2-dimethylpropanoylamino)oxy-4-methylpentanamide is CC(C)C[C@@H](ONC(=O)C(C)(C)C)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (2R)-N-(4-chlorophenyl)-2-(2,2-dimethylpropanoylamino)oxy-4-methylpentanamide?
The InChIKey is CPSJCZBBUFMZEK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-11(2)10-14(23-20-16(22)17(3,4)5)15(21)19-13-8-6-12(18)7-9-13/h6-9,11,14H,10H2,1-5H3,(H,19,21)(H,20,22)/t14-/m1/s1.
What are the key properties of (2R)-N-(4-chlorophenyl)-2-(2,2-dimethylpropanoylamino)oxy-4-methylpentanamide?
(2R)-N-(4-chlorophenyl)-2-(2,2-dimethylpropanoylamino)oxy-4-methylpentanamide has a molecular weight of 340.85 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chlorophenyl)-2-(2,2-dimethylpropanoylamino)oxy-4-methylpentanamide is sourced from PubChem (CID 11121385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).