N-(1-amino-1-hydroxyiminopentan-2-yl)-4-tert-butylcyclohexane-1-carboxamide

C16H31N3O2 — CID 76948332

IUPACN-(1-amino-1-hydroxyiminopentan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
SMILESCCCC(NC(=O)C1CCC(C(C)(C)C)CC1)C(N)=NO
InChIInChI=1S/C16H31N3O2/c1-5-6-13(14(17)19-21)18-15(20)11-7-9-12(10-8-11)16(2,3)4/h11-13,21H,5-10H2,1-4H3,(H2,17,19)(H,18,20)
InChIKeyUPKQAUQFDUNGRK-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.87
Rot. Bonds5

About N-(1-amino-1-hydroxyiminopentan-2-yl)-4-tert-butylcyclohexane-1-carboxamide

N-(1-amino-1-hydroxyiminopentan-2-yl)-4-tert-butylcyclohexane-1-carboxamide (PubChem CID 76948332) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopentan-2-yl)-4-tert-butylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopentan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
PubChem CID76948332
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-(1-amino-1-hydroxyiminopentan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
SMILESCCCC(NC(=O)C1CCC(C(C)(C)C)CC1)C(N)=NO
InChIInChI=1S/C16H31N3O2/c1-5-6-13(14(17)19-21)18-15(20)11-7-9-12(10-8-11)16(2,3)4/h11-13,21H,5-10H2,1-4H3,(H2,17,19)(H,18,20)
InChIKeyUPKQAUQFDUNGRK-UHFFFAOYSA-N
XLogP2.87
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.87
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'}

Analyze N-(1-amino-1-hydroxyiminopentan-2-yl)-4-tert-butylcyclohexane-1-carboxamide 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-(1-amino-1-hydroxyiminopropan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 76948330
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-tert-butylcyclohexane-1-carboxamide
CID 77039306
N-(1-amino-1-sulfanylidenebutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 62718554
N-(1-amino-1-hydroxyiminopentan-2-yl)-5-methyloxolane-3-carboxamide
CID 104979329
4-amino-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-oxobutanoic acid
CID 43092294
4-tert-butyl-N-hex-1-yn-3-ylcyclohexane-1-carboxamide
CID 114161118
N-(1-aminobutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 63755182
methyl (2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]propanoate
CID 113257909
(2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 78975872
(2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic acid
CID 107563614
N-(1-amino-1-hydroxyiminopentan-2-yl)-3,4,4-trimethylpentanamide
CID 77009381
N-(1-amino-1-hydroxyiminopentan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310807

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopentan-2-yl)-4-tert-butylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopentan-2-yl)-4-tert-butylcyclohexane-1-carboxamide (CID 76948332) is N-(1-amino-1-hydroxyiminopentan-2-yl)-4-tert-butylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopentan-2-yl)-4-tert-butylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopentan-2-yl)-4-tert-butylcyclohexane-1-carboxamide is CCCC(NC(=O)C1CCC(C(C)(C)C)CC1)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyiminopentan-2-yl)-4-tert-butylcyclohexane-1-carboxamide?
The InChIKey is UPKQAUQFDUNGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-5-6-13(14(17)19-21)18-15(20)11-7-9-12(10-8-11)16(2,3)4/h11-13,21H,5-10H2,1-4H3,(H2,17,19)(H,18,20).
What are the key properties of N-(1-amino-1-hydroxyiminopentan-2-yl)-4-tert-butylcyclohexane-1-carboxamide?
N-(1-amino-1-hydroxyiminopentan-2-yl)-4-tert-butylcyclohexane-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopentan-2-yl)-4-tert-butylcyclohexane-1-carboxamide is sourced from PubChem (CID 76948332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).