1-ethyl-2-methoxy-2-phenylcyclohexane-1-carboxamide

C16H23NO2 — CID 69480248

IUPAC1-ethyl-2-methoxy-2-phenylcyclohexane-1-carboxamide
SMILESCCC1(C(N)=O)CCCCC1(OC)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-3-15(14(17)18)11-7-8-12-16(15,19-2)13-9-5-4-6-10-13/h4-6,9-10H,3,7-8,11-12H2,1-2H3,(H2,17,18)
InChIKeyCXIWHLGFKKCEHU-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.98
Rot. Bonds4

About 1-ethyl-2-methoxy-2-phenylcyclohexane-1-carboxamide

1-ethyl-2-methoxy-2-phenylcyclohexane-1-carboxamide (PubChem CID 69480248) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-ethyl-2-methoxy-2-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-ethyl-2-methoxy-2-phenylcyclohexane-1-carboxamide
PubChem CID69480248
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1-ethyl-2-methoxy-2-phenylcyclohexane-1-carboxamide
SMILESCCC1(C(N)=O)CCCCC1(OC)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-3-15(14(17)18)11-7-8-12-16(15,19-2)13-9-5-4-6-10-13/h4-6,9-10H,3,7-8,11-12H2,1-2H3,(H2,17,18)
InChIKeyCXIWHLGFKKCEHU-UHFFFAOYSA-N
XLogP2.98
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methoxy-2-phenylcyclohexane-1-carboxamide?
The IUPAC name of 1-ethyl-2-methoxy-2-phenylcyclohexane-1-carboxamide (CID 69480248) is 1-ethyl-2-methoxy-2-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-ethyl-2-methoxy-2-phenylcyclohexane-1-carboxamide?
The canonical SMILES for 1-ethyl-2-methoxy-2-phenylcyclohexane-1-carboxamide is CCC1(C(N)=O)CCCCC1(OC)c1ccccc1.
What is the InChIKey of 1-ethyl-2-methoxy-2-phenylcyclohexane-1-carboxamide?
The InChIKey is CXIWHLGFKKCEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-15(14(17)18)11-7-8-12-16(15,19-2)13-9-5-4-6-10-13/h4-6,9-10H,3,7-8,11-12H2,1-2H3,(H2,17,18).
What are the key properties of 1-ethyl-2-methoxy-2-phenylcyclohexane-1-carboxamide?
1-ethyl-2-methoxy-2-phenylcyclohexane-1-carboxamide has a molecular weight of 261.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methoxy-2-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 69480248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).