cycloheptyl N-(3-phenylphenyl)carbamate

C20H23NO2 — CID 57400844

IUPACcycloheptyl N-(3-phenylphenyl)carbamate
SMILESO=C(Nc1cccc(-c2ccccc2)c1)OC1CCCCCC1
InChIInChI=1S/C20H23NO2/c22-20(23-19-13-6-1-2-7-14-19)21-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15,19H,1-2,6-7,13-14H2,(H,21,22)
InChIKeyIVXKMRFVDSJEJZ-UHFFFAOYSA-N
MW309.41 g/mol
LogP5.62
Rot. Bonds3

About cycloheptyl N-(3-phenylphenyl)carbamate

cycloheptyl N-(3-phenylphenyl)carbamate (PubChem CID 57400844) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is cycloheptyl N-(3-phenylphenyl)carbamate.

Molecular Properties

Compound Namecycloheptyl N-(3-phenylphenyl)carbamate
PubChem CID57400844
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Namecycloheptyl N-(3-phenylphenyl)carbamate
SMILESO=C(Nc1cccc(-c2ccccc2)c1)OC1CCCCCC1
InChIInChI=1S/C20H23NO2/c22-20(23-19-13-6-1-2-7-14-19)21-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15,19H,1-2,6-7,13-14H2,(H,21,22)
InChIKeyIVXKMRFVDSJEJZ-UHFFFAOYSA-N
XLogP5.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cycloheptyl N-(3-phenylphenyl)carbamate?
The IUPAC name of cycloheptyl N-(3-phenylphenyl)carbamate (CID 57400844) is cycloheptyl N-(3-phenylphenyl)carbamate.
What is the SMILES notation for cycloheptyl N-(3-phenylphenyl)carbamate?
The canonical SMILES for cycloheptyl N-(3-phenylphenyl)carbamate is O=C(Nc1cccc(-c2ccccc2)c1)OC1CCCCCC1.
What is the InChIKey of cycloheptyl N-(3-phenylphenyl)carbamate?
The InChIKey is IVXKMRFVDSJEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c22-20(23-19-13-6-1-2-7-14-19)21-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15,19H,1-2,6-7,13-14H2,(H,21,22).
What are the key properties of cycloheptyl N-(3-phenylphenyl)carbamate?
cycloheptyl N-(3-phenylphenyl)carbamate has a molecular weight of 309.41 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl N-(3-phenylphenyl)carbamate is sourced from PubChem (CID 57400844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).