3-amino-3-hydroxyimino-2-methyl-N-(4-methylhexan-2-yl)propanamide

C11H23N3O2 — CID 77070038

IUPAC3-amino-3-hydroxyimino-2-methyl-N-(4-methylhexan-2-yl)propanamide
SMILESCCC(C)CC(C)NC(=O)C(C)C(N)=NO
InChIInChI=1S/C11H23N3O2/c1-5-7(2)6-8(3)13-11(15)9(4)10(12)14-16/h7-9,16H,5-6H2,1-4H3,(H2,12,14)(H,13,15)
InChIKeyYIQILXRRPKUZMN-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.31
Rot. Bonds6

About 3-amino-3-hydroxyimino-2-methyl-N-(4-methylhexan-2-yl)propanamide

3-amino-3-hydroxyimino-2-methyl-N-(4-methylhexan-2-yl)propanamide (PubChem CID 77070038) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2-methyl-N-(4-methylhexan-2-yl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2-methyl-N-(4-methylhexan-2-yl)propanamide
PubChem CID77070038
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name3-amino-3-hydroxyimino-2-methyl-N-(4-methylhexan-2-yl)propanamide
SMILESCCC(C)CC(C)NC(=O)C(C)C(N)=NO
InChIInChI=1S/C11H23N3O2/c1-5-7(2)6-8(3)13-11(15)9(4)10(12)14-16/h7-9,16H,5-6H2,1-4H3,(H2,12,14)(H,13,15)
InChIKeyYIQILXRRPKUZMN-UHFFFAOYSA-N
XLogP1.31
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.31
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

3-amino-3-hydroxyimino-2-methyl-N-(4-methylsulfanylbutan-2-yl)propanamide
CID 104864380
N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925722
2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(4-methylhexan-2-yl)butanamide
CID 113270872
3-amino-3-hydroxyimino-2-methyl-N-octan-4-ylpropanamide
CID 106021394
3-amino-3-hydroxyimino-2-methyl-N-pentylpropanamide
CID 76925594
3-amino-N-ethyl-3-hydroxyimino-2-methyl-N-(2-methylbutyl)propanamide
CID 79469921
3-amino-N-(4-amino-4-oxobutyl)-3-hydroxyimino-2-methylpropanamide
CID 76926545
3-amino-N-cyclopropyl-3-hydroxyimino-2-methylpropanamide
CID 76925873
5-[(3-amino-3-hydroxyimino-2-methylpropanoyl)amino]pentanamide
CID 106240183
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-ethylbutanamide
CID 76934679
N-heptan-2-yl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76925990
3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-hydroxyimino-2-methylpropanamide
CID 114134867

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-2-methyl-N-(4-methylhexan-2-yl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2-methyl-N-(4-methylhexan-2-yl)propanamide (CID 77070038) is 3-amino-3-hydroxyimino-2-methyl-N-(4-methylhexan-2-yl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2-methyl-N-(4-methylhexan-2-yl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2-methyl-N-(4-methylhexan-2-yl)propanamide is CCC(C)CC(C)NC(=O)C(C)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-2-methyl-N-(4-methylhexan-2-yl)propanamide?
The InChIKey is YIQILXRRPKUZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-5-7(2)6-8(3)13-11(15)9(4)10(12)14-16/h7-9,16H,5-6H2,1-4H3,(H2,12,14)(H,13,15).
What are the key properties of 3-amino-3-hydroxyimino-2-methyl-N-(4-methylhexan-2-yl)propanamide?
3-amino-3-hydroxyimino-2-methyl-N-(4-methylhexan-2-yl)propanamide has a molecular weight of 229.32 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-2-methyl-N-(4-methylhexan-2-yl)propanamide is sourced from PubChem (CID 77070038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).