[4-[4-(4,4-dimethylcyclohexyl)anilino]cyclohexyl]methyl carbamate

C22H34N2O2 — CID 175562214

IUPAC[4-[4-(4,4-dimethylcyclohexyl)anilino]cyclohexyl]methyl carbamate
SMILESCC1(C)CCC(c2ccc(NC3CCC(COC(N)=O)CC3)cc2)CC1
InChIInChI=1S/C22H34N2O2/c1-22(2)13-11-18(12-14-22)17-5-9-20(10-6-17)24-19-7-3-16(4-8-19)15-26-21(23)25/h5-6,9-10,16,18-19,24H,3-4,7-8,11-15H2,1-2H3,(H2,23,25)
InChIKeyZXRNPUIVRLEFGS-UHFFFAOYSA-N
MW358.53 g/mol
LogP5.44
Rot. Bonds5

About [4-[4-(4,4-dimethylcyclohexyl)anilino]cyclohexyl]methyl carbamate

[4-[4-(4,4-dimethylcyclohexyl)anilino]cyclohexyl]methyl carbamate (PubChem CID 175562214) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is [4-[4-(4,4-dimethylcyclohexyl)anilino]cyclohexyl]methyl carbamate.

Molecular Properties

Compound Name[4-[4-(4,4-dimethylcyclohexyl)anilino]cyclohexyl]methyl carbamate
PubChem CID175562214
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name[4-[4-(4,4-dimethylcyclohexyl)anilino]cyclohexyl]methyl carbamate
SMILESCC1(C)CCC(c2ccc(NC3CCC(COC(N)=O)CC3)cc2)CC1
InChIInChI=1S/C22H34N2O2/c1-22(2)13-11-18(12-14-22)17-5-9-20(10-6-17)24-19-7-3-16(4-8-19)15-26-21(23)25/h5-6,9-10,16,18-19,24H,3-4,7-8,11-15H2,1-2H3,(H2,23,25)
InChIKeyZXRNPUIVRLEFGS-UHFFFAOYSA-N
XLogP5.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(4,4-dimethylcyclohexyl)anilino]cyclohexyl]methyl carbamate?
The IUPAC name of [4-[4-(4,4-dimethylcyclohexyl)anilino]cyclohexyl]methyl carbamate (CID 175562214) is [4-[4-(4,4-dimethylcyclohexyl)anilino]cyclohexyl]methyl carbamate.
What is the SMILES notation for [4-[4-(4,4-dimethylcyclohexyl)anilino]cyclohexyl]methyl carbamate?
The canonical SMILES for [4-[4-(4,4-dimethylcyclohexyl)anilino]cyclohexyl]methyl carbamate is CC1(C)CCC(c2ccc(NC3CCC(COC(N)=O)CC3)cc2)CC1.
What is the InChIKey of [4-[4-(4,4-dimethylcyclohexyl)anilino]cyclohexyl]methyl carbamate?
The InChIKey is ZXRNPUIVRLEFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-22(2)13-11-18(12-14-22)17-5-9-20(10-6-17)24-19-7-3-16(4-8-19)15-26-21(23)25/h5-6,9-10,16,18-19,24H,3-4,7-8,11-15H2,1-2H3,(H2,23,25).
What are the key properties of [4-[4-(4,4-dimethylcyclohexyl)anilino]cyclohexyl]methyl carbamate?
[4-[4-(4,4-dimethylcyclohexyl)anilino]cyclohexyl]methyl carbamate has a molecular weight of 358.53 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4,4-dimethylcyclohexyl)anilino]cyclohexyl]methyl carbamate is sourced from PubChem (CID 175562214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).