[4-(dimethylcarbamoylamino)phenyl] N-cyclohexylcarbamate

C16H23N3O3 — CID 165343962

IUPAC[4-(dimethylcarbamoylamino)phenyl] N-cyclohexylcarbamate
SMILESCN(C)C(=O)Nc1ccc(OC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C16H23N3O3/c1-19(2)15(20)17-13-8-10-14(11-9-13)22-16(21)18-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyNDYUOSWKSFGIGZ-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.20
Rot. Bonds3

About [4-(dimethylcarbamoylamino)phenyl] N-cyclohexylcarbamate

[4-(dimethylcarbamoylamino)phenyl] N-cyclohexylcarbamate (PubChem CID 165343962) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is [4-(dimethylcarbamoylamino)phenyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[4-(dimethylcarbamoylamino)phenyl] N-cyclohexylcarbamate
PubChem CID165343962
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name[4-(dimethylcarbamoylamino)phenyl] N-cyclohexylcarbamate
SMILESCN(C)C(=O)Nc1ccc(OC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C16H23N3O3/c1-19(2)15(20)17-13-8-10-14(11-9-13)22-16(21)18-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyNDYUOSWKSFGIGZ-UHFFFAOYSA-N
XLogP3.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylcarbamoylamino)phenyl] N-cyclohexylcarbamate?
The IUPAC name of [4-(dimethylcarbamoylamino)phenyl] N-cyclohexylcarbamate (CID 165343962) is [4-(dimethylcarbamoylamino)phenyl] N-cyclohexylcarbamate.
What is the SMILES notation for [4-(dimethylcarbamoylamino)phenyl] N-cyclohexylcarbamate?
The canonical SMILES for [4-(dimethylcarbamoylamino)phenyl] N-cyclohexylcarbamate is CN(C)C(=O)Nc1ccc(OC(=O)NC2CCCCC2)cc1.
What is the InChIKey of [4-(dimethylcarbamoylamino)phenyl] N-cyclohexylcarbamate?
The InChIKey is NDYUOSWKSFGIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-19(2)15(20)17-13-8-10-14(11-9-13)22-16(21)18-12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of [4-(dimethylcarbamoylamino)phenyl] N-cyclohexylcarbamate?
[4-(dimethylcarbamoylamino)phenyl] N-cyclohexylcarbamate has a molecular weight of 305.38 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylcarbamoylamino)phenyl] N-cyclohexylcarbamate is sourced from PubChem (CID 165343962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).