N-(4-amino-4-hydroxyiminobutyl)-2-cyclohexylacetamide

C12H23N3O2 — CID 76952873

IUPACN-(4-amino-4-hydroxyiminobutyl)-2-cyclohexylacetamide
SMILESNC(CCCNC(=O)CC1CCCCC1)=NO
InChIInChI=1S/C12H23N3O2/c13-11(15-17)7-4-8-14-12(16)9-10-5-2-1-3-6-10/h10,17H,1-9H2,(H2,13,15)(H,14,16)
InChIKeyDQHBGVGVLAWJNV-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.60
Rot. Bonds6

About N-(4-amino-4-hydroxyiminobutyl)-2-cyclohexylacetamide

N-(4-amino-4-hydroxyiminobutyl)-2-cyclohexylacetamide (PubChem CID 76952873) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(4-amino-4-hydroxyiminobutyl)-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-(4-amino-4-hydroxyiminobutyl)-2-cyclohexylacetamide
PubChem CID76952873
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-(4-amino-4-hydroxyiminobutyl)-2-cyclohexylacetamide
SMILESNC(CCCNC(=O)CC1CCCCC1)=NO
InChIInChI=1S/C12H23N3O2/c13-11(15-17)7-4-8-14-12(16)9-10-5-2-1-3-6-10/h10,17H,1-9H2,(H2,13,15)(H,14,16)
InChIKeyDQHBGVGVLAWJNV-UHFFFAOYSA-N
XLogP1.60
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'}

Analyze N-(4-amino-4-hydroxyiminobutyl)-2-cyclohexylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-amino-5-hydroxyiminopentyl)-2-cyclopentylacetamide
CID 77036704
N-(3-amino-3-hydroxyiminopropyl)-2-cyclohexylacetamide
CID 76948274
N-(3-amino-3-hydroxyiminopropyl)-2-cycloheptylacetamide
CID 104928892
N-(3-aminopropyl)-2-cyclopentylacetamide
CID 24706958
N-(5-amino-5-hydroxyiminopentyl)cyclooctanecarboxamide
CID 77052783
3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313805
N-(5-amino-5-hydroxyiminopentyl)cyclopentanecarboxamide
CID 77036807
3-(cyclohexylmethylamino)-N'-hydroxypropanimidamide
CID 77028587
2-cyclohexyl-N-octylacetamide
CID 3547359
2-cycloheptyl-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119432481
2-cyclohexyl-N-pent-4-ynylacetamide
CID 103709024
2-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 103799929

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-hydroxyiminobutyl)-2-cyclohexylacetamide?
The IUPAC name of N-(4-amino-4-hydroxyiminobutyl)-2-cyclohexylacetamide (CID 76952873) is N-(4-amino-4-hydroxyiminobutyl)-2-cyclohexylacetamide.
What is the SMILES notation for N-(4-amino-4-hydroxyiminobutyl)-2-cyclohexylacetamide?
The canonical SMILES for N-(4-amino-4-hydroxyiminobutyl)-2-cyclohexylacetamide is NC(CCCNC(=O)CC1CCCCC1)=NO.
What is the InChIKey of N-(4-amino-4-hydroxyiminobutyl)-2-cyclohexylacetamide?
The InChIKey is DQHBGVGVLAWJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c13-11(15-17)7-4-8-14-12(16)9-10-5-2-1-3-6-10/h10,17H,1-9H2,(H2,13,15)(H,14,16).
What are the key properties of N-(4-amino-4-hydroxyiminobutyl)-2-cyclohexylacetamide?
N-(4-amino-4-hydroxyiminobutyl)-2-cyclohexylacetamide has a molecular weight of 241.33 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-hydroxyiminobutyl)-2-cyclohexylacetamide is sourced from PubChem (CID 76952873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).