3-amino-N-ethyl-3-hydroxyimino-2-methyl-N-(2-methylbutyl)propanamide

C11H23N3O2 — CID 79469921

IUPAC3-amino-N-ethyl-3-hydroxyimino-2-methyl-N-(2-methylbutyl)propanamide
SMILESCCC(C)CN(CC)C(=O)C(C)C(N)=NO
InChIInChI=1S/C11H23N3O2/c1-5-8(3)7-14(6-2)11(15)9(4)10(12)13-16/h8-9,16H,5-7H2,1-4H3,(H2,12,13)
InChIKeyTWLGUSUTPKNESV-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.26
Rot. Bonds6

About 3-amino-N-ethyl-3-hydroxyimino-2-methyl-N-(2-methylbutyl)propanamide

3-amino-N-ethyl-3-hydroxyimino-2-methyl-N-(2-methylbutyl)propanamide (PubChem CID 79469921) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-amino-N-ethyl-3-hydroxyimino-2-methyl-N-(2-methylbutyl)propanamide.

Molecular Properties

Compound Name3-amino-N-ethyl-3-hydroxyimino-2-methyl-N-(2-methylbutyl)propanamide
PubChem CID79469921
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name3-amino-N-ethyl-3-hydroxyimino-2-methyl-N-(2-methylbutyl)propanamide
SMILESCCC(C)CN(CC)C(=O)C(C)C(N)=NO
InChIInChI=1S/C11H23N3O2/c1-5-8(3)7-14(6-2)11(15)9(4)10(12)13-16/h8-9,16H,5-7H2,1-4H3,(H2,12,13)
InChIKeyTWLGUSUTPKNESV-UHFFFAOYSA-N
XLogP1.26
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.26
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

(2R)-2-amino-N-ethyl-N-(2-methylbutyl)propanamide
CID 79469965
N-butan-2-yl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76926234
(2S,3S)-2-amino-N-ethyl-3-methyl-N-(2-methylbutyl)pentanamide
CID 79471014
1-(3-amino-3-hydroxyimino-2-methylpropyl)-1-ethyl-3-propan-2-ylurea
CID 76910719
2-amino-1-ethyl-1-(2-methylbutyl)guanidine
CID 79470408
N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methylbutyl)cyclopentane-1-carboxamide
CID 79470174
N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methylbutyl)cyclohexane-1-carboxamide
CID 79470522
3-amino-3-hydroxyimino-2-methyl-N-(4-methylhexan-2-yl)propanamide
CID 77070038
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-methylpentanamide
CID 54987486
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylbutanamide
CID 76910787
N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylbutanamide
CID 76924055
1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-tert-butyl-1-ethylurea
CID 54988667

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-3-hydroxyimino-2-methyl-N-(2-methylbutyl)propanamide?
The IUPAC name of 3-amino-N-ethyl-3-hydroxyimino-2-methyl-N-(2-methylbutyl)propanamide (CID 79469921) is 3-amino-N-ethyl-3-hydroxyimino-2-methyl-N-(2-methylbutyl)propanamide.
What is the SMILES notation for 3-amino-N-ethyl-3-hydroxyimino-2-methyl-N-(2-methylbutyl)propanamide?
The canonical SMILES for 3-amino-N-ethyl-3-hydroxyimino-2-methyl-N-(2-methylbutyl)propanamide is CCC(C)CN(CC)C(=O)C(C)C(N)=NO.
What is the InChIKey of 3-amino-N-ethyl-3-hydroxyimino-2-methyl-N-(2-methylbutyl)propanamide?
The InChIKey is TWLGUSUTPKNESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-5-8(3)7-14(6-2)11(15)9(4)10(12)13-16/h8-9,16H,5-7H2,1-4H3,(H2,12,13).
What are the key properties of 3-amino-N-ethyl-3-hydroxyimino-2-methyl-N-(2-methylbutyl)propanamide?
3-amino-N-ethyl-3-hydroxyimino-2-methyl-N-(2-methylbutyl)propanamide has a molecular weight of 229.32 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-3-hydroxyimino-2-methyl-N-(2-methylbutyl)propanamide is sourced from PubChem (CID 79469921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).