N'-[(2S)-1-hydroxybutan-2-yl]-N-(4-propan-2-ylphenyl)oxamide

C15H22N2O3 — CID 51471886

IUPACN'-[(2S)-1-hydroxybutan-2-yl]-N-(4-propan-2-ylphenyl)oxamide
SMILESCC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-4-12(9-18)16-14(19)15(20)17-13-7-5-11(6-8-13)10(2)3/h5-8,10,12,18H,4,9H2,1-3H3,(H,16,19)(H,17,20)/t12-/m0/s1
InChIKeyWJEZKAIBMOQZAO-LBPRGKRZSA-N
MW278.35 g/mol
LogP1.64
Rot. Bonds5

About N'-[(2S)-1-hydroxybutan-2-yl]-N-(4-propan-2-ylphenyl)oxamide

N'-[(2S)-1-hydroxybutan-2-yl]-N-(4-propan-2-ylphenyl)oxamide (PubChem CID 51471886) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N'-[(2S)-1-hydroxybutan-2-yl]-N-(4-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(2S)-1-hydroxybutan-2-yl]-N-(4-propan-2-ylphenyl)oxamide
PubChem CID51471886
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN'-[(2S)-1-hydroxybutan-2-yl]-N-(4-propan-2-ylphenyl)oxamide
SMILESCC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-4-12(9-18)16-14(19)15(20)17-13-7-5-11(6-8-13)10(2)3/h5-8,10,12,18H,4,9H2,1-3H3,(H,16,19)(H,17,20)/t12-/m0/s1
InChIKeyWJEZKAIBMOQZAO-LBPRGKRZSA-N
XLogP1.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-1-hydroxybutan-2-yl]-3-(4-propan-2-ylphenyl)thiourea
CID 8624683
N-(3,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 47224716
N'-[(2S)-1-hydroxybutan-2-yl]-N-(4-nitrophenyl)oxamide
CID 41452846
N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032259
N-[(2R)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032260
N-(3-ethylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 47224753
1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 4647135
2-methyl-N-(4-propan-2-ylphenyl)pent-2-enamide
CID 54298724
N-(2,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 108502845
N-(5-chloro-2-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 45000896
1-(4-ethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4111810
N-(2-aminoethyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 43316008

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-1-hydroxybutan-2-yl]-N-(4-propan-2-ylphenyl)oxamide?
The IUPAC name of N'-[(2S)-1-hydroxybutan-2-yl]-N-(4-propan-2-ylphenyl)oxamide (CID 51471886) is N'-[(2S)-1-hydroxybutan-2-yl]-N-(4-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N'-[(2S)-1-hydroxybutan-2-yl]-N-(4-propan-2-ylphenyl)oxamide?
The canonical SMILES for N'-[(2S)-1-hydroxybutan-2-yl]-N-(4-propan-2-ylphenyl)oxamide is CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of N'-[(2S)-1-hydroxybutan-2-yl]-N-(4-propan-2-ylphenyl)oxamide?
The InChIKey is WJEZKAIBMOQZAO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-12(9-18)16-14(19)15(20)17-13-7-5-11(6-8-13)10(2)3/h5-8,10,12,18H,4,9H2,1-3H3,(H,16,19)(H,17,20)/t12-/m0/s1.
What are the key properties of N'-[(2S)-1-hydroxybutan-2-yl]-N-(4-propan-2-ylphenyl)oxamide?
N'-[(2S)-1-hydroxybutan-2-yl]-N-(4-propan-2-ylphenyl)oxamide has a molecular weight of 278.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-1-hydroxybutan-2-yl]-N-(4-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 51471886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).