3-amino-3-hydroxyimino-2-methyl-N-octan-4-ylpropanamide

C12H25N3O2 — CID 106021394

IUPAC3-amino-3-hydroxyimino-2-methyl-N-octan-4-ylpropanamide
SMILESCCCCC(CCC)NC(=O)C(C)C(N)=NO
InChIInChI=1S/C12H25N3O2/c1-4-6-8-10(7-5-2)14-12(16)9(3)11(13)15-17/h9-10,17H,4-8H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyNGDNPXICZJAABQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.84
Rot. Bonds8

About 3-amino-3-hydroxyimino-2-methyl-N-octan-4-ylpropanamide

3-amino-3-hydroxyimino-2-methyl-N-octan-4-ylpropanamide (PubChem CID 106021394) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2-methyl-N-octan-4-ylpropanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2-methyl-N-octan-4-ylpropanamide
PubChem CID106021394
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-amino-3-hydroxyimino-2-methyl-N-octan-4-ylpropanamide
SMILESCCCCC(CCC)NC(=O)C(C)C(N)=NO
InChIInChI=1S/C12H25N3O2/c1-4-6-8-10(7-5-2)14-12(16)9(3)11(13)15-17/h9-10,17H,4-8H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyNGDNPXICZJAABQ-UHFFFAOYSA-N
XLogP1.84
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.84
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

2-methyl-3-(octan-4-ylamino)-3-oxopropanoic acid
CID 106021991
(2S)-2-amino-N-octan-4-ylpropanamide;hydrochloride
CID 119342416
(2R)-2-amino-N-octan-4-ylpentanamide
CID 103797903
3-amino-3-hydroxyimino-2-methyl-N-pentylpropanamide
CID 76925594
(2R)-2-amino-N-octan-4-ylbutanamide
CID 104878219
2-amino-N-octan-4-ylbutanediamide
CID 113288677
5-amino-2-methyl-N-octan-4-ylpentanamide
CID 106025739
3-amino-3-hydroxyimino-2-methyl-N-(4-methylsulfanylbutan-2-yl)propanamide
CID 104864380
3-amino-3-hydroxyimino-2-methyl-N-(4-methylhexan-2-yl)propanamide
CID 77070038
2-(octan-4-ylamino)propanamide
CID 103776431
3,3-dimethyl-2-(octan-4-ylcarbamoyl)butanoic acid
CID 106021463
N-heptan-2-yl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76925990

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-2-methyl-N-octan-4-ylpropanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2-methyl-N-octan-4-ylpropanamide (CID 106021394) is 3-amino-3-hydroxyimino-2-methyl-N-octan-4-ylpropanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2-methyl-N-octan-4-ylpropanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2-methyl-N-octan-4-ylpropanamide is CCCCC(CCC)NC(=O)C(C)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-2-methyl-N-octan-4-ylpropanamide?
The InChIKey is NGDNPXICZJAABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-4-6-8-10(7-5-2)14-12(16)9(3)11(13)15-17/h9-10,17H,4-8H2,1-3H3,(H2,13,15)(H,14,16).
What are the key properties of 3-amino-3-hydroxyimino-2-methyl-N-octan-4-ylpropanamide?
3-amino-3-hydroxyimino-2-methyl-N-octan-4-ylpropanamide has a molecular weight of 243.35 g/mol, XLogP of 1.84, 8 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-octan-4-ylpropanamide is sourced from PubChem (CID 106021394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).