N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]cycloheptanecarboxamide

C19H28N2O3 — CID 58417181

IUPACN-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]cycloheptanecarboxamide
SMILESCC(C)C(NC(=O)C1CCCCCC1)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C19H28N2O3/c1-13(2)17(14-9-11-16(12-10-14)19(23)21-24)20-18(22)15-7-5-3-4-6-8-15/h9-13,15,17,24H,3-8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyQYHNCZYOBCYVHF-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.59
Rot. Bonds5

About N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]cycloheptanecarboxamide

N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]cycloheptanecarboxamide (PubChem CID 58417181) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]cycloheptanecarboxamide.

Molecular Properties

Compound NameN-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]cycloheptanecarboxamide
PubChem CID58417181
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]cycloheptanecarboxamide
SMILESCC(C)C(NC(=O)C1CCCCCC1)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C19H28N2O3/c1-13(2)17(14-9-11-16(12-10-14)19(23)21-24)20-18(22)15-7-5-3-4-6-8-15/h9-13,15,17,24H,3-8H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyQYHNCZYOBCYVHF-UHFFFAOYSA-N
XLogP3.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]cycloheptanecarboxamide
CID 58417527
4-[1-(cyclohexanecarbonylamino)-2,2-dimethylpropyl]-N-hydroxybenzamide
CID 58417470
N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]cyclobutanecarboxamide
CID 30906945
N-hydroxy-4-[(1R)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]benzamide
CID 58417520
N'-(cyclohexanecarbonyl)-4-propan-2-ylbenzohydrazide
CID 17177548
4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclohexane-1-carboxamide
CID 60848343
N-hydroxy-4-[2-methyl-1-(1-phenylethylcarbamoylamino)propyl]benzamide
CID 76779917
3-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-1,3-dicarboxamide
CID 43022867
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 46763137
N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-3,5-bis(trifluoromethyl)benzamide
CID 87384322
N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide
CID 119273380

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]cycloheptanecarboxamide?
The IUPAC name of N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]cycloheptanecarboxamide (CID 58417181) is N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]cycloheptanecarboxamide.
What is the SMILES notation for N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]cycloheptanecarboxamide?
The canonical SMILES for N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]cycloheptanecarboxamide is CC(C)C(NC(=O)C1CCCCCC1)c1ccc(C(=O)NO)cc1.
What is the InChIKey of N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]cycloheptanecarboxamide?
The InChIKey is QYHNCZYOBCYVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13(2)17(14-9-11-16(12-10-14)19(23)21-24)20-18(22)15-7-5-3-4-6-8-15/h9-13,15,17,24H,3-8H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]cycloheptanecarboxamide?
N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]cycloheptanecarboxamide has a molecular weight of 332.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]cycloheptanecarboxamide is sourced from PubChem (CID 58417181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).