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

C14H27N3O2 — CID 76948330

IUPACN-(1-amino-1-hydroxyiminopropan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
SMILESCC(C(=NO)N)NC(=O)C1CCC(CC1)C(C)(C)C
InChIInChI=1S/C14H27N3O2/c1-9(12(15)17-19)16-13(18)10-5-7-11(8-6-10)14(2,3)4/h9-11,19H,5-8H2,1-4H3,(H2,15,17)(H,16,18)
InChIKeyMCLNPVHHJIVUJW-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.70
Rot. Bonds4

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

N-(1-amino-1-hydroxyiminopropan-2-yl)-4-tert-butylcyclohexane-1-carboxamide (PubChem CID 76948330) has the molecular formula C14H27N3O2 and a molecular weight of 269.38 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopropan-2-yl)-4-tert-butylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopropan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
PubChem CID76948330
Molecular FormulaC14H27N3O2
Molecular Weight269.38 g/mol
Exact Mass269.21
IUPAC NameN-(1-amino-1-hydroxyiminopropan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
SMILESCC(C(=NO)N)NC(=O)C1CCC(CC1)C(C)(C)C
InChIInChI=1S/C14H27N3O2/c1-9(12(15)17-19)16-13(18)10-5-7-11(8-6-10)14(2,3)4/h9-11,19H,5-8H2,1-4H3,(H2,15,17)(H,16,18)
InChIKeyMCLNPVHHJIVUJW-UHFFFAOYSA-N
XLogP2.70
TPSA87.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity339

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.70
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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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-4-tert-butylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-4-tert-butylcyclohexane-1-carboxamide (CID 76948330) is N-(1-amino-1-hydroxyiminopropan-2-yl)-4-tert-butylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopropan-2-yl)-4-tert-butylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopropan-2-yl)-4-tert-butylcyclohexane-1-carboxamide is CC(C(=NO)N)NC(=O)C1CCC(CC1)C(C)(C)C.
What is the InChIKey of N-(1-amino-1-hydroxyiminopropan-2-yl)-4-tert-butylcyclohexane-1-carboxamide?
The InChIKey is MCLNPVHHJIVUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-9(12(15)17-19)16-13(18)10-5-7-11(8-6-10)14(2,3)4/h9-11,19H,5-8H2,1-4H3,(H2,15,17)(H,16,18).
What are the key properties of N-(1-amino-1-hydroxyiminopropan-2-yl)-4-tert-butylcyclohexane-1-carboxamide?
N-(1-amino-1-hydroxyiminopropan-2-yl)-4-tert-butylcyclohexane-1-carboxamide has a molecular weight of 269.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopropan-2-yl)-4-tert-butylcyclohexane-1-carboxamide is sourced from PubChem (CID 76948330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).