N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]cycloheptanecarboxamide

C17H24N2O3 — CID 58417527

IUPACN-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]cycloheptanecarboxamide
SMILESCC(NC(=O)C1CCCCCC1)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C17H24N2O3/c1-12(13-8-10-15(11-9-13)17(21)19-22)18-16(20)14-6-4-2-3-5-7-14/h8-12,14,22H,2-7H2,1H3,(H,18,20)(H,19,21)
InChIKeyCRYVCZWOOSBBQE-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.95
Rot. Bonds4

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

N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]cycloheptanecarboxamide (PubChem CID 58417527) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]cycloheptanecarboxamide.

Molecular Properties

Compound NameN-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]cycloheptanecarboxamide
PubChem CID58417527
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]cycloheptanecarboxamide
SMILESCC(NC(=O)C1CCCCCC1)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C17H24N2O3/c1-12(13-8-10-15(11-9-13)17(21)19-22)18-16(20)14-6-4-2-3-5-7-14/h8-12,14,22H,2-7H2,1H3,(H,18,20)(H,19,21)
InChIKeyCRYVCZWOOSBBQE-UHFFFAOYSA-N
XLogP2.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.95
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]-2-methylpropyl]cycloheptanecarboxamide
CID 58417181
4-[1-(cyclohexanecarbonylamino)-2,2-dimethylpropyl]-N-hydroxybenzamide
CID 58417470
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 46763137
N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide
CID 800129
N-hydroxy-4-[1-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]benzamide
CID 58417487
N-[1-[4-(aminomethyl)phenyl]ethyl]cyclopentanecarboxamide
CID 54936832
N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentanecarboxamide
CID 112791720
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
N-[(1S)-1-(4-phenylphenyl)ethyl]cyclobutanecarboxamide
CID 25381115
N'-(cyclohexanecarbonyl)-4-propan-2-ylbenzohydrazide
CID 17177548
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclobutanecarboxamide
CID 34483284

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]cycloheptanecarboxamide?
The IUPAC name of N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]cycloheptanecarboxamide (CID 58417527) is N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]cycloheptanecarboxamide.
What is the SMILES notation for N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]cycloheptanecarboxamide?
The canonical SMILES for N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]cycloheptanecarboxamide is CC(NC(=O)C1CCCCCC1)c1ccc(C(=O)NO)cc1.
What is the InChIKey of N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]cycloheptanecarboxamide?
The InChIKey is CRYVCZWOOSBBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(13-8-10-15(11-9-13)17(21)19-22)18-16(20)14-6-4-2-3-5-7-14/h8-12,14,22H,2-7H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]cycloheptanecarboxamide?
N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]cycloheptanecarboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.95, 4 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]ethyl]cycloheptanecarboxamide is sourced from PubChem (CID 58417527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).