N-phenylmethoxycyclohexanecarboxamide

C14H19NO2 — CID 3686111

IUPACN-phenylmethoxycyclohexanecarboxamide
SMILESO=C(NOCc1ccccc1)C1CCCCC1
InChIInChI=1S/C14H19NO2/c16-14(13-9-5-2-6-10-13)15-17-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,15,16)
InChIKeyOKFYBNPULQFGII-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.81
Rot. Bonds4

About N-phenylmethoxycyclohexanecarboxamide

N-phenylmethoxycyclohexanecarboxamide (PubChem CID 3686111) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-phenylmethoxycyclohexanecarboxamide.

Molecular Properties

Compound NameN-phenylmethoxycyclohexanecarboxamide
PubChem CID3686111
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-phenylmethoxycyclohexanecarboxamide
SMILESO=C(NOCc1ccccc1)C1CCCCC1
InChIInChI=1S/C14H19NO2/c16-14(13-9-5-2-6-10-13)15-17-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,15,16)
InChIKeyOKFYBNPULQFGII-UHFFFAOYSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 252925
CID 252925
CID 16721024
CID 16721024
CID 44423686
CID 44423686
CID 71721720
CID 71721720
CID 169494390
CID 169494390
CID 177376012
CID 177376012
CID 177376013
CID 177376013
CID 177376015
CID 177376015
CID 177647518
CID 177647518
CID 11808064
CID 11808064
CID 11818672
CID 11818672
CID 11118838
CID 11118838

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxycyclohexanecarboxamide?
The IUPAC name of N-phenylmethoxycyclohexanecarboxamide (CID 3686111) is N-phenylmethoxycyclohexanecarboxamide.
What is the SMILES notation for N-phenylmethoxycyclohexanecarboxamide?
The canonical SMILES for N-phenylmethoxycyclohexanecarboxamide is O=C(NOCc1ccccc1)C1CCCCC1.
What is the InChIKey of N-phenylmethoxycyclohexanecarboxamide?
The InChIKey is OKFYBNPULQFGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-14(13-9-5-2-6-10-13)15-17-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,15,16).
What are the key properties of N-phenylmethoxycyclohexanecarboxamide?
N-phenylmethoxycyclohexanecarboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxycyclohexanecarboxamide is sourced from PubChem (CID 3686111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).