N-(1-amino-1-hydroxyiminopentan-2-yl)-3-propan-2-yloxybenzamide

C15H23N3O3 — CID 76977889

IUPACN-(1-amino-1-hydroxyiminopentan-2-yl)-3-propan-2-yloxybenzamide
SMILESCCCC(NC(=O)c1cccc(OC(C)C)c1)C(N)=NO
InChIInChI=1S/C15H23N3O3/c1-4-6-13(14(16)18-20)17-15(19)11-7-5-8-12(9-11)21-10(2)3/h5,7-10,13,20H,4,6H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyKDQNMRBPZHJMMF-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.12
Rot. Bonds7

About N-(1-amino-1-hydroxyiminopentan-2-yl)-3-propan-2-yloxybenzamide

N-(1-amino-1-hydroxyiminopentan-2-yl)-3-propan-2-yloxybenzamide (PubChem CID 76977889) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopentan-2-yl)-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopentan-2-yl)-3-propan-2-yloxybenzamide
PubChem CID76977889
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-(1-amino-1-hydroxyiminopentan-2-yl)-3-propan-2-yloxybenzamide
SMILESCCCC(NC(=O)c1cccc(OC(C)C)c1)C(N)=NO
InChIInChI=1S/C15H23N3O3/c1-4-6-13(14(16)18-20)17-15(19)11-7-5-8-12(9-11)21-10(2)3/h5,7-10,13,20H,4,6H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyKDQNMRBPZHJMMF-UHFFFAOYSA-N
XLogP2.12
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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)-3-propan-2-yloxybenzamide 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

4-methoxy-2-[(3-propan-2-yloxybenzoyl)amino]butanoic acid
CID 62921331
N-(1-cyanobutyl)-3-propan-2-yloxybenzamide
CID 62921514
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-3,5-dihydroxybenzamide
CID 107705570
N-(1-amino-1-sulfanylidenepentan-2-yl)-3-methoxybenzamide
CID 61121299
N-(1-amino-1-hydroxyiminopentan-2-yl)quinoline-6-carboxamide
CID 76975230
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]pyridazine-4-carboxamide
CID 113439447
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-3-propan-2-yloxybenzamide
CID 76977902
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3-propoxybenzamide
CID 77039305
N-(1-amino-1-hydroxyiminopentan-2-yl)-2-(3-hydroxyphenyl)acetamide
CID 61399930
N-(3-carbamothioylpentan-3-yl)-3-propan-2-yloxybenzamide
CID 62920330
N-(4-amino-4-hydroxyiminobutyl)-3-propan-2-yloxybenzamide
CID 76977754

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopentan-2-yl)-3-propan-2-yloxybenzamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopentan-2-yl)-3-propan-2-yloxybenzamide (CID 76977889) is N-(1-amino-1-hydroxyiminopentan-2-yl)-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopentan-2-yl)-3-propan-2-yloxybenzamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopentan-2-yl)-3-propan-2-yloxybenzamide is CCCC(NC(=O)c1cccc(OC(C)C)c1)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyiminopentan-2-yl)-3-propan-2-yloxybenzamide?
The InChIKey is KDQNMRBPZHJMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-6-13(14(16)18-20)17-15(19)11-7-5-8-12(9-11)21-10(2)3/h5,7-10,13,20H,4,6H2,1-3H3,(H2,16,18)(H,17,19).
What are the key properties of N-(1-amino-1-hydroxyiminopentan-2-yl)-3-propan-2-yloxybenzamide?
N-(1-amino-1-hydroxyiminopentan-2-yl)-3-propan-2-yloxybenzamide has a molecular weight of 293.37 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopentan-2-yl)-3-propan-2-yloxybenzamide is sourced from PubChem (CID 76977889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).