N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]cyclohexanecarboxamide

C16H20N2O3 — CID 122514304

IUPACN-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]cyclohexanecarboxamide
SMILESO=C(/C=C/c1ccccc1NC(=O)C1CCCCC1)NO
InChIInChI=1S/C16H20N2O3/c19-15(18-21)11-10-12-6-4-5-9-14(12)17-16(20)13-7-2-1-3-8-13/h4-6,9-11,13,21H,1-3,7-8H2,(H,17,20)(H,18,19)/b11-10+
InChIKeyOLEQXTDGRAXJMO-ZHACJKMWSA-N
MW288.35 g/mol
LogP2.72
Rot. Bonds4

About N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]cyclohexanecarboxamide

N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]cyclohexanecarboxamide (PubChem CID 122514304) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]cyclohexanecarboxamide
PubChem CID122514304
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]cyclohexanecarboxamide
SMILESO=C(/C=C/c1ccccc1NC(=O)C1CCCCC1)NO
InChIInChI=1S/C16H20N2O3/c19-15(18-21)11-10-12-6-4-5-9-14(12)17-16(20)13-7-2-1-3-8-13/h4-6,9-11,13,21H,1-3,7-8H2,(H,17,20)(H,18,19)/b11-10+
InChIKeyOLEQXTDGRAXJMO-ZHACJKMWSA-N
XLogP2.72
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]cyclohexanecarboxamide 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

N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 122513986
N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 122514317
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
N-(2-bromophenyl)cyclopentanecarboxamide
CID 1228174
N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]cyclohexanecarbohydrazide
CID 927016
2-(cycloheptanecarbonylamino)benzoic acid
CID 55091870
1-[2-(cyclohexanecarbonylamino)anilino]ethylidene-dimethylazanium
CID 21440518
N-[2-[(dimethylamino)methyl]phenyl]cyclohexanecarboxamide
CID 31969965
N-[2-(chloromethyl)phenyl]cyclohexanecarboxamide
CID 114298121
N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]cyclobutanecarboxamide
CID 68999694
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
N-(2,3-dichlorophenyl)cyclohexanecarboxamide
CID 836509

Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]cyclohexanecarboxamide (CID 122514304) is N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]cyclohexanecarboxamide is O=C(/C=C/c1ccccc1NC(=O)C1CCCCC1)NO.
What is the InChIKey of N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]cyclohexanecarboxamide?
The InChIKey is OLEQXTDGRAXJMO-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(18-21)11-10-12-6-4-5-9-14(12)17-16(20)13-7-2-1-3-8-13/h4-6,9-11,13,21H,1-3,7-8H2,(H,17,20)(H,18,19)/b11-10+.
What are the key properties of N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]cyclohexanecarboxamide?
N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]cyclohexanecarboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 122514304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).