N-hydroxy-N-phenylcycloheptanecarboxamide

C14H19NO2 — CID 131974748

IUPACN-hydroxy-N-phenylcycloheptanecarboxamide
SMILESO=C(C1CCCCCC1)N(O)c1ccccc1
InChIInChI=1S/C14H19NO2/c16-14(12-8-4-1-2-5-9-12)15(17)13-10-6-3-7-11-13/h3,6-7,10-12,17H,1-2,4-5,8-9H2
InChIKeySAWMDIJVFBIANT-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.38
Rot. Bonds2

About N-hydroxy-N-phenylcycloheptanecarboxamide

N-hydroxy-N-phenylcycloheptanecarboxamide (PubChem CID 131974748) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-hydroxy-N-phenylcycloheptanecarboxamide.

Molecular Properties

Compound NameN-hydroxy-N-phenylcycloheptanecarboxamide
PubChem CID131974748
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-hydroxy-N-phenylcycloheptanecarboxamide
SMILESO=C(C1CCCCCC1)N(O)c1ccccc1
InChIInChI=1S/C14H19NO2/c16-14(12-8-4-1-2-5-9-12)15(17)13-10-6-3-7-11-13/h3,6-7,10-12,17H,1-2,4-5,8-9H2
InChIKeySAWMDIJVFBIANT-UHFFFAOYSA-N
XLogP3.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-phenylcyclopentanecarbohydrazide
CID 135123224
N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538
1-cyclohexyl-2-(N-methylanilino)ethanone
CID 12697074
N-(cyanomethyl)-N-phenylcyclohexanecarboxamide
CID 82130138
N-butan-2-yl-N-phenylcyclohexanecarboxamide
CID 153425263
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
N-(4-methylphenyl)sulfonyl-N-phenylcyclohexanecarboxamide
CID 19210513
N-benzylcyclopentanecarbohydrazide
CID 141018237
1-N',3-N'-bis(cyclohexanecarbothioyl)-1-N',3-N'-diphenylpropanedihydrazide
CID 10230476
1-cyclohexyl-2-(dibenzylamino)ethanone
CID 130167125
N-cyclohexyl-N-phenylcarbamoyl chloride
CID 18329458

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-phenylcycloheptanecarboxamide?
The IUPAC name of N-hydroxy-N-phenylcycloheptanecarboxamide (CID 131974748) is N-hydroxy-N-phenylcycloheptanecarboxamide.
What is the SMILES notation for N-hydroxy-N-phenylcycloheptanecarboxamide?
The canonical SMILES for N-hydroxy-N-phenylcycloheptanecarboxamide is O=C(C1CCCCCC1)N(O)c1ccccc1.
What is the InChIKey of N-hydroxy-N-phenylcycloheptanecarboxamide?
The InChIKey is SAWMDIJVFBIANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-14(12-8-4-1-2-5-9-12)15(17)13-10-6-3-7-11-13/h3,6-7,10-12,17H,1-2,4-5,8-9H2.
What are the key properties of N-hydroxy-N-phenylcycloheptanecarboxamide?
N-hydroxy-N-phenylcycloheptanecarboxamide has a molecular weight of 233.31 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-phenylcycloheptanecarboxamide is sourced from PubChem (CID 131974748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).