N-(2-amino-2-hydroxyiminoethyl)-4-butyl-N-propan-2-ylcyclohexane-1-carboxamide

C16H31N3O2 — CID 77038182

IUPACN-(2-amino-2-hydroxyiminoethyl)-4-butyl-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)N(CC(N)=NO)C(C)C)CC1
InChIInChI=1S/C16H31N3O2/c1-4-5-6-13-7-9-14(10-8-13)16(20)19(12(2)3)11-15(17)18-21/h12-14,21H,4-11H2,1-3H3,(H2,17,18)
InChIKeyNTFBUTGWPJRHOM-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.97
Rot. Bonds7

About N-(2-amino-2-hydroxyiminoethyl)-4-butyl-N-propan-2-ylcyclohexane-1-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-4-butyl-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 77038182) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-4-butyl-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-4-butyl-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID77038182
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-4-butyl-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)N(CC(N)=NO)C(C)C)CC1
InChIInChI=1S/C16H31N3O2/c1-4-5-6-13-7-9-14(10-8-13)16(20)19(12(2)3)11-15(17)18-21/h12-14,21H,4-11H2,1-3H3,(H2,17,18)
InChIKeyNTFBUTGWPJRHOM-UHFFFAOYSA-N
XLogP2.97
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.97
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)-2-methyl-N-propan-2-yloxolane-3-carboxamide
CID 79762647
1-(2-amino-2-hydroxyiminoethyl)-3-butyl-1-propan-2-ylurea
CID 77038065
N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yloctanamide
CID 77044667
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-propan-2-ylcyclopentanecarboxamide
CID 54996423
1-(2-amino-2-hydroxyiminoethyl)-1-propan-2-yl-3-propylurea
CID 77038006
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 77052802
N-(2-bromopropyl)-4-butyl-N-methylcyclohexane-1-carboxamide
CID 80665597
4-butyl-N-methoxy-N-methylcyclohexane-1-carboxamide
CID 60644673
N-(2-aminoethyl)-4-butyl-N-ethylcyclohexane-1-carboxamide
CID 61349316
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-butylcyclohexane-1-carboxamide
CID 77038788
propan-2-yl 4-butylcyclohexane-1-carboxylate
CID 60643355
4-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 62806942

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-4-butyl-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-4-butyl-N-propan-2-ylcyclohexane-1-carboxamide (CID 77038182) is N-(2-amino-2-hydroxyiminoethyl)-4-butyl-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-4-butyl-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-4-butyl-N-propan-2-ylcyclohexane-1-carboxamide is CCCCC1CCC(C(=O)N(CC(N)=NO)C(C)C)CC1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-4-butyl-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is NTFBUTGWPJRHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-5-6-13-7-9-14(10-8-13)16(20)19(12(2)3)11-15(17)18-21/h12-14,21H,4-11H2,1-3H3,(H2,17,18).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-4-butyl-N-propan-2-ylcyclohexane-1-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-4-butyl-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 2.97, 7 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-butyl-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 77038182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).