[4-[acetyl(cyclohexyl)amino]phenyl] N-methyl-N-phenylcarbamate

C22H26N2O3 — CID 91520177

IUPAC[4-[acetyl(cyclohexyl)amino]phenyl] N-methyl-N-phenylcarbamate
SMILESCC(=O)N(c1ccc(OC(=O)N(C)c2ccccc2)cc1)C1CCCCC1
InChIInChI=1S/C22H26N2O3/c1-17(25)24(19-11-7-4-8-12-19)20-13-15-21(16-14-20)27-22(26)23(2)18-9-5-3-6-10-18/h3,5-6,9-10,13-16,19H,4,7-8,11-12H2,1-2H3
InChIKeyKBOXDUBNOKBWJZ-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.01
Rot. Bonds4

About [4-[acetyl(cyclohexyl)amino]phenyl] N-methyl-N-phenylcarbamate

[4-[acetyl(cyclohexyl)amino]phenyl] N-methyl-N-phenylcarbamate (PubChem CID 91520177) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is [4-[acetyl(cyclohexyl)amino]phenyl] N-methyl-N-phenylcarbamate.

Molecular Properties

Compound Name[4-[acetyl(cyclohexyl)amino]phenyl] N-methyl-N-phenylcarbamate
PubChem CID91520177
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name[4-[acetyl(cyclohexyl)amino]phenyl] N-methyl-N-phenylcarbamate
SMILESCC(=O)N(c1ccc(OC(=O)N(C)c2ccccc2)cc1)C1CCCCC1
InChIInChI=1S/C22H26N2O3/c1-17(25)24(19-11-7-4-8-12-19)20-13-15-21(16-14-20)27-22(26)23(2)18-9-5-3-6-10-18/h3,5-6,9-10,13-16,19H,4,7-8,11-12H2,1-2H3
InChIKeyKBOXDUBNOKBWJZ-UHFFFAOYSA-N
XLogP5.01
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[acetyl(cyclohexyl)amino]phenyl] N-methyl-N-phenylcarbamate?
The IUPAC name of [4-[acetyl(cyclohexyl)amino]phenyl] N-methyl-N-phenylcarbamate (CID 91520177) is [4-[acetyl(cyclohexyl)amino]phenyl] N-methyl-N-phenylcarbamate.
What is the SMILES notation for [4-[acetyl(cyclohexyl)amino]phenyl] N-methyl-N-phenylcarbamate?
The canonical SMILES for [4-[acetyl(cyclohexyl)amino]phenyl] N-methyl-N-phenylcarbamate is CC(=O)N(c1ccc(OC(=O)N(C)c2ccccc2)cc1)C1CCCCC1.
What is the InChIKey of [4-[acetyl(cyclohexyl)amino]phenyl] N-methyl-N-phenylcarbamate?
The InChIKey is KBOXDUBNOKBWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-17(25)24(19-11-7-4-8-12-19)20-13-15-21(16-14-20)27-22(26)23(2)18-9-5-3-6-10-18/h3,5-6,9-10,13-16,19H,4,7-8,11-12H2,1-2H3.
What are the key properties of [4-[acetyl(cyclohexyl)amino]phenyl] N-methyl-N-phenylcarbamate?
[4-[acetyl(cyclohexyl)amino]phenyl] N-methyl-N-phenylcarbamate has a molecular weight of 366.46 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[acetyl(cyclohexyl)amino]phenyl] N-methyl-N-phenylcarbamate is sourced from PubChem (CID 91520177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).