[1-[(3,5-dimethoxyphenyl)methyl]cyclohexyl] carbamate

C16H23NO4 — CID 21470643

IUPAC[1-[(3,5-dimethoxyphenyl)methyl]cyclohexyl] carbamate
SMILESCOc1cc(CC2(OC(N)=O)CCCCC2)cc(OC)c1
InChIInChI=1S/C16H23NO4/c1-19-13-8-12(9-14(10-13)20-2)11-16(21-15(17)18)6-4-3-5-7-16/h8-10H,3-7,11H2,1-2H3,(H2,17,18)
InChIKeyKIPRVDLDPYGSCG-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.04
Rot. Bonds5

About [1-[(3,5-dimethoxyphenyl)methyl]cyclohexyl] carbamate

[1-[(3,5-dimethoxyphenyl)methyl]cyclohexyl] carbamate (PubChem CID 21470643) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is [1-[(3,5-dimethoxyphenyl)methyl]cyclohexyl] carbamate.

Molecular Properties

Compound Name[1-[(3,5-dimethoxyphenyl)methyl]cyclohexyl] carbamate
PubChem CID21470643
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name[1-[(3,5-dimethoxyphenyl)methyl]cyclohexyl] carbamate
SMILESCOc1cc(CC2(OC(N)=O)CCCCC2)cc(OC)c1
InChIInChI=1S/C16H23NO4/c1-19-13-8-12(9-14(10-13)20-2)11-16(21-15(17)18)6-4-3-5-7-16/h8-10H,3-7,11H2,1-2H3,(H2,17,18)
InChIKeyKIPRVDLDPYGSCG-UHFFFAOYSA-N
XLogP3.04
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dimethoxyphenyl)methyl]cyclohexyl] carbamate?
The IUPAC name of [1-[(3,5-dimethoxyphenyl)methyl]cyclohexyl] carbamate (CID 21470643) is [1-[(3,5-dimethoxyphenyl)methyl]cyclohexyl] carbamate.
What is the SMILES notation for [1-[(3,5-dimethoxyphenyl)methyl]cyclohexyl] carbamate?
The canonical SMILES for [1-[(3,5-dimethoxyphenyl)methyl]cyclohexyl] carbamate is COc1cc(CC2(OC(N)=O)CCCCC2)cc(OC)c1.
What is the InChIKey of [1-[(3,5-dimethoxyphenyl)methyl]cyclohexyl] carbamate?
The InChIKey is KIPRVDLDPYGSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-19-13-8-12(9-14(10-13)20-2)11-16(21-15(17)18)6-4-3-5-7-16/h8-10H,3-7,11H2,1-2H3,(H2,17,18).
What are the key properties of [1-[(3,5-dimethoxyphenyl)methyl]cyclohexyl] carbamate?
[1-[(3,5-dimethoxyphenyl)methyl]cyclohexyl] carbamate has a molecular weight of 293.36 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dimethoxyphenyl)methyl]cyclohexyl] carbamate is sourced from PubChem (CID 21470643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).