1-(2-methoxy-2-phenylethyl)cyclohexane-1-carboxamide

C16H23NO2 — CID 69480242

IUPAC1-(2-methoxy-2-phenylethyl)cyclohexane-1-carboxamide
SMILESCOC(CC1(C(N)=O)CCCCC1)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-19-14(13-8-4-2-5-9-13)12-16(15(17)18)10-6-3-7-11-16/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3,(H2,17,18)
InChIKeyRRSPDROVWUMNOU-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.20
Rot. Bonds5

About 1-(2-methoxy-2-phenylethyl)cyclohexane-1-carboxamide

1-(2-methoxy-2-phenylethyl)cyclohexane-1-carboxamide (PubChem CID 69480242) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(2-methoxy-2-phenylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(2-methoxy-2-phenylethyl)cyclohexane-1-carboxamide
PubChem CID69480242
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(2-methoxy-2-phenylethyl)cyclohexane-1-carboxamide
SMILESCOC(CC1(C(N)=O)CCCCC1)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-19-14(13-8-4-2-5-9-13)12-16(15(17)18)10-6-3-7-11-16/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3,(H2,17,18)
InChIKeyRRSPDROVWUMNOU-UHFFFAOYSA-N
XLogP3.20
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-phenylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(2-methoxy-2-phenylethyl)cyclohexane-1-carboxamide (CID 69480242) is 1-(2-methoxy-2-phenylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(2-methoxy-2-phenylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(2-methoxy-2-phenylethyl)cyclohexane-1-carboxamide is COC(CC1(C(N)=O)CCCCC1)c1ccccc1.
What is the InChIKey of 1-(2-methoxy-2-phenylethyl)cyclohexane-1-carboxamide?
The InChIKey is RRSPDROVWUMNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-19-14(13-8-4-2-5-9-13)12-16(15(17)18)10-6-3-7-11-16/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3,(H2,17,18).
What are the key properties of 1-(2-methoxy-2-phenylethyl)cyclohexane-1-carboxamide?
1-(2-methoxy-2-phenylethyl)cyclohexane-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-phenylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 69480242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).