N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-phenylpropanamide

C13H19N3O2 — CID 55102577

IUPACN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-phenylpropanamide
SMILESCC(CNC(=O)CCc1ccccc1)/C(N)=N/O
InChIInChI=1S/C13H19N3O2/c1-10(13(14)16-18)9-15-12(17)8-7-11-5-3-2-4-6-11/h2-6,10,18H,7-9H2,1H3,(H2,14,16)(H,15,17)
InChIKeyMYWARNNVFHVESV-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.12
Rot. Bonds6

About N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-phenylpropanamide

N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-phenylpropanamide (PubChem CID 55102577) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-phenylpropanamide
PubChem CID55102577
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-phenylpropanamide
SMILESCC(CNC(=O)CCc1ccccc1)/C(N)=N/O
InChIInChI=1S/C13H19N3O2/c1-10(13(14)16-18)9-15-12(17)8-7-11-5-3-2-4-6-11/h2-6,10,18H,7-9H2,1H3,(H2,14,16)(H,15,17)
InChIKeyMYWARNNVFHVESV-UHFFFAOYSA-N
XLogP1.12
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(furan-2-yl)propanamide
CID 76952808
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(4-bromophenyl)acetamide
CID 76952762
N-(2-cyanopropyl)-3-phenylpropanamide
CID 62651466
N-(3-amino-3-hydroxyimino-2-methylpropyl)furan-2-carboxamide
CID 76952760
N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylpropanamide
CID 93032888
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-phenylbutanamide
CID 76952952
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-phenylethyl)butanamide
CID 76925756
N-(2-methylpropyl)-5-phenylpentanamide
CID 110297876
4-methyl-2-(3-phenylpropanoylamino)pentanamide
CID 22574938
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-methylsulfanylbenzamide
CID 79205826
3-(4-aminophenyl)-N-(2-hydroxy-2-phenylethyl)propanamide
CID 61036910
3-(4-methylphenyl)-N-(2-phenylpropyl)propanamide
CID 133229339

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-phenylpropanamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-phenylpropanamide (CID 55102577) is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-phenylpropanamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-phenylpropanamide is CC(CNC(=O)CCc1ccccc1)/C(N)=N/O.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-phenylpropanamide?
The InChIKey is MYWARNNVFHVESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10(13(14)16-18)9-15-12(17)8-7-11-5-3-2-4-6-11/h2-6,10,18H,7-9H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-phenylpropanamide?
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-phenylpropanamide has a molecular weight of 249.31 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-phenylpropanamide is sourced from PubChem (CID 55102577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).