N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyladamantane-1-carboxamide

C15H25N3O2 — CID 76928107

IUPACN-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyladamantane-1-carboxamide
SMILESCC(C(N)=NO)N(C)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25N3O2/c1-9(13(16)17-20)18(2)14(19)15-6-10-3-11(7-15)5-12(4-10)8-15/h9-12,20H,3-8H2,1-2H3,(H2,16,17)
InChIKeyHFIRSXJQPGXWNX-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.80
Rot. Bonds3

About N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyladamantane-1-carboxamide

N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyladamantane-1-carboxamide (PubChem CID 76928107) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyladamantane-1-carboxamide
PubChem CID76928107
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyladamantane-1-carboxamide
SMILESCC(C(N)=NO)N(C)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25N3O2/c1-9(13(16)17-20)18(2)14(19)15-6-10-3-11(7-15)5-12(4-10)8-15/h9-12,20H,3-8H2,1-2H3,(H2,16,17)
InChIKeyHFIRSXJQPGXWNX-UHFFFAOYSA-N
XLogP1.80
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.80
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'}

Analyze N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyladamantane-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

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyladamantane-1-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyladamantane-1-carboxamide (CID 76928107) is N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyladamantane-1-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyladamantane-1-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyladamantane-1-carboxamide is CC(C(N)=NO)N(C)C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyladamantane-1-carboxamide?
The InChIKey is HFIRSXJQPGXWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-9(13(16)17-20)18(2)14(19)15-6-10-3-11(7-15)5-12(4-10)8-15/h9-12,20H,3-8H2,1-2H3,(H2,16,17).
What are the key properties of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyladamantane-1-carboxamide?
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyladamantane-1-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyladamantane-1-carboxamide is sourced from PubChem (CID 76928107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).