N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-methylpentanamide

C12H25N3O2 — CID 54987486

IUPACN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-methylpentanamide
SMILESCCN(CC(C)/C(N)=N/O)C(=O)CCC(C)C
InChIInChI=1S/C12H25N3O2/c1-5-15(8-10(4)12(13)14-17)11(16)7-6-9(2)3/h9-10,17H,5-8H2,1-4H3,(H2,13,14)
InChIKeyJHZHROXUXMZSRH-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.65
Rot. Bonds7

About N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-methylpentanamide

N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-methylpentanamide (PubChem CID 54987486) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-methylpentanamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-methylpentanamide
PubChem CID54987486
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-methylpentanamide
SMILESCCN(CC(C)/C(N)=N/O)C(=O)CCC(C)C
InChIInChI=1S/C12H25N3O2/c1-5-15(8-10(4)12(13)14-17)11(16)7-6-9(2)3/h9-10,17H,5-8H2,1-4H3,(H2,13,14)
InChIKeyJHZHROXUXMZSRH-UHFFFAOYSA-N
XLogP1.65
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
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)-N-ethyl-2-methylsulfonylacetamide
CID 77015078
1-(3-amino-3-hydroxyimino-2-methylpropyl)-1-ethyl-3-propan-2-ylurea
CID 76910719
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-3-(oxolan-2-yl)propanamide
CID 77057849
1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-tert-butyl-1-ethylurea
CID 54988667
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-2-thiophen-3-ylacetamide
CID 54987583
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-(2-methoxyphenyl)acetamide
CID 76910736
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,5-dihydroxybenzamide
CID 107705588
ethyl 2-[ethyl(4-methylpentanoyl)amino]acetate
CID 61012376
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2,6-difluorobenzamide
CID 76910656
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethylthiophene-2-carboxamide
CID 54987293
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2,4,6-trifluorobenzamide
CID 77056008
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-fluoro-2-hydroxybenzamide
CID 107016221

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-methylpentanamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-methylpentanamide (CID 54987486) is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-methylpentanamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-methylpentanamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-methylpentanamide is CCN(CC(C)/C(N)=N/O)C(=O)CCC(C)C.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-methylpentanamide?
The InChIKey is JHZHROXUXMZSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-5-15(8-10(4)12(13)14-17)11(16)7-6-9(2)3/h9-10,17H,5-8H2,1-4H3,(H2,13,14).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-methylpentanamide?
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-methylpentanamide has a molecular weight of 243.35 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 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]-N-ethyl-4-methylpentanamide is sourced from PubChem (CID 54987486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).