N-(2-amino-2-hydroxyiminoethyl)-4-tert-butyl-N-ethylcyclohexane-1-carboxamide

C15H29N3O2 — CID 76948340

IUPACN-(2-amino-2-hydroxyiminoethyl)-4-tert-butyl-N-ethylcyclohexane-1-carboxamide
SMILESCCN(CC(N)=NO)C(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H29N3O2/c1-5-18(10-13(16)17-20)14(19)11-6-8-12(9-7-11)15(2,3)4/h11-12,20H,5-10H2,1-4H3,(H2,16,17)
InChIKeyVSOCKBFNDIAPEW-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.43
Rot. Bonds4

About N-(2-amino-2-hydroxyiminoethyl)-4-tert-butyl-N-ethylcyclohexane-1-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-4-tert-butyl-N-ethylcyclohexane-1-carboxamide (PubChem CID 76948340) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-4-tert-butyl-N-ethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-4-tert-butyl-N-ethylcyclohexane-1-carboxamide
PubChem CID76948340
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-4-tert-butyl-N-ethylcyclohexane-1-carboxamide
SMILESCCN(CC(N)=NO)C(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H29N3O2/c1-5-18(10-13(16)17-20)14(19)11-6-8-12(9-7-11)15(2,3)4/h11-12,20H,5-10H2,1-4H3,(H2,16,17)
InChIKeyVSOCKBFNDIAPEW-UHFFFAOYSA-N
XLogP2.43
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.43
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

N-(2-amino-2-hydroxyiminoethyl)-N-ethylcyclopentanecarboxamide
CID 76929255
N-(2-amino-2-hydroxyiminoethyl)-N-ethylcyclohexanecarboxamide
CID 76929305
N-(2-amino-2-hydroxyiminoethyl)-N-propylcycloheptanecarboxamide
CID 76947015
3-[(4-tert-butylcyclohexanecarbonyl)-ethylamino]propanoic acid
CID 61007609
N-(2-aminoethyl)-4-tert-butyl-N-propylcyclohexane-1-carboxamide
CID 55220481
N-(2-amino-2-oxoethyl)-N-ethylazetidine-3-carboxamide
CID 103101813
1-(2-amino-2-hydroxyiminoethyl)-3-cyclobutyl-1-ethylurea
CID 104892229
N-(2-amino-2-oxoethyl)-N-ethyl-6-methylpiperidine-3-carboxamide
CID 103102672
N-(2-amino-2-hydroxyiminoethyl)-N-methylcyclobutanecarboxamide
CID 76929440
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylcyclooctanecarboxamide
CID 77052784
N-(2-amino-2-hydroxyiminoethyl)-N,2-diethylbutanamide
CID 76929154
N-(1-amino-1-hydroxyiminopentan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 76948332

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-4-tert-butyl-N-ethylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-4-tert-butyl-N-ethylcyclohexane-1-carboxamide (CID 76948340) is N-(2-amino-2-hydroxyiminoethyl)-4-tert-butyl-N-ethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-4-tert-butyl-N-ethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-4-tert-butyl-N-ethylcyclohexane-1-carboxamide is CCN(CC(N)=NO)C(=O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-4-tert-butyl-N-ethylcyclohexane-1-carboxamide?
The InChIKey is VSOCKBFNDIAPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-5-18(10-13(16)17-20)14(19)11-6-8-12(9-7-11)15(2,3)4/h11-12,20H,5-10H2,1-4H3,(H2,16,17).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-4-tert-butyl-N-ethylcyclohexane-1-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-4-tert-butyl-N-ethylcyclohexane-1-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-4-tert-butyl-N-ethylcyclohexane-1-carboxamide is sourced from PubChem (CID 76948340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).