[4-(dimethylamino)-3-phenylphenyl] N-cyclohexylcarbamate

C21H26N2O2 — CID 71699785

IUPAC[4-(dimethylamino)-3-phenylphenyl] N-cyclohexylcarbamate
SMILESCN(C)c1ccc(OC(=O)NC2CCCCC2)cc1-c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-23(2)20-14-13-18(15-19(20)16-9-5-3-6-10-16)25-21(24)22-17-11-7-4-8-12-17/h3,5-6,9-10,13-15,17H,4,7-8,11-12H2,1-2H3,(H,22,24)
InChIKeyCLQBGHFWBDCVGW-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.84
Rot. Bonds4

About [4-(dimethylamino)-3-phenylphenyl] N-cyclohexylcarbamate

[4-(dimethylamino)-3-phenylphenyl] N-cyclohexylcarbamate (PubChem CID 71699785) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is [4-(dimethylamino)-3-phenylphenyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[4-(dimethylamino)-3-phenylphenyl] N-cyclohexylcarbamate
PubChem CID71699785
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name[4-(dimethylamino)-3-phenylphenyl] N-cyclohexylcarbamate
SMILESCN(C)c1ccc(OC(=O)NC2CCCCC2)cc1-c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-23(2)20-14-13-18(15-19(20)16-9-5-3-6-10-16)25-21(24)22-17-11-7-4-8-12-17/h3,5-6,9-10,13-15,17H,4,7-8,11-12H2,1-2H3,(H,22,24)
InChIKeyCLQBGHFWBDCVGW-UHFFFAOYSA-N
XLogP4.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-3-phenylphenyl] N-cyclohexylcarbamate?
The IUPAC name of [4-(dimethylamino)-3-phenylphenyl] N-cyclohexylcarbamate (CID 71699785) is [4-(dimethylamino)-3-phenylphenyl] N-cyclohexylcarbamate.
What is the SMILES notation for [4-(dimethylamino)-3-phenylphenyl] N-cyclohexylcarbamate?
The canonical SMILES for [4-(dimethylamino)-3-phenylphenyl] N-cyclohexylcarbamate is CN(C)c1ccc(OC(=O)NC2CCCCC2)cc1-c1ccccc1.
What is the InChIKey of [4-(dimethylamino)-3-phenylphenyl] N-cyclohexylcarbamate?
The InChIKey is CLQBGHFWBDCVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-23(2)20-14-13-18(15-19(20)16-9-5-3-6-10-16)25-21(24)22-17-11-7-4-8-12-17/h3,5-6,9-10,13-15,17H,4,7-8,11-12H2,1-2H3,(H,22,24).
What are the key properties of [4-(dimethylamino)-3-phenylphenyl] N-cyclohexylcarbamate?
[4-(dimethylamino)-3-phenylphenyl] N-cyclohexylcarbamate has a molecular weight of 338.45 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-3-phenylphenyl] N-cyclohexylcarbamate is sourced from PubChem (CID 71699785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).