[4-(4-propan-2-ylanilino)cyclohexyl]methyl carbamate

C17H26N2O2 — CID 175562113

IUPAC[4-(4-propan-2-ylanilino)cyclohexyl]methyl carbamate
SMILESCC(C)c1ccc(NC2CCC(COC(N)=O)CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-12(2)14-5-9-16(10-6-14)19-15-7-3-13(4-8-15)11-21-17(18)20/h5-6,9-10,12-13,15,19H,3-4,7-8,11H2,1-2H3,(H2,18,20)
InChIKeyIBTFNVYDXXDILS-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.88
Rot. Bonds5

About [4-(4-propan-2-ylanilino)cyclohexyl]methyl carbamate

[4-(4-propan-2-ylanilino)cyclohexyl]methyl carbamate (PubChem CID 175562113) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is [4-(4-propan-2-ylanilino)cyclohexyl]methyl carbamate.

Molecular Properties

Compound Name[4-(4-propan-2-ylanilino)cyclohexyl]methyl carbamate
PubChem CID175562113
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name[4-(4-propan-2-ylanilino)cyclohexyl]methyl carbamate
SMILESCC(C)c1ccc(NC2CCC(COC(N)=O)CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-12(2)14-5-9-16(10-6-14)19-15-7-3-13(4-8-15)11-21-17(18)20/h5-6,9-10,12-13,15,19H,3-4,7-8,11H2,1-2H3,(H2,18,20)
InChIKeyIBTFNVYDXXDILS-UHFFFAOYSA-N
XLogP3.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-propan-2-ylanilino)cyclohexyl]methyl carbamate?
The IUPAC name of [4-(4-propan-2-ylanilino)cyclohexyl]methyl carbamate (CID 175562113) is [4-(4-propan-2-ylanilino)cyclohexyl]methyl carbamate.
What is the SMILES notation for [4-(4-propan-2-ylanilino)cyclohexyl]methyl carbamate?
The canonical SMILES for [4-(4-propan-2-ylanilino)cyclohexyl]methyl carbamate is CC(C)c1ccc(NC2CCC(COC(N)=O)CC2)cc1.
What is the InChIKey of [4-(4-propan-2-ylanilino)cyclohexyl]methyl carbamate?
The InChIKey is IBTFNVYDXXDILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)14-5-9-16(10-6-14)19-15-7-3-13(4-8-15)11-21-17(18)20/h5-6,9-10,12-13,15,19H,3-4,7-8,11H2,1-2H3,(H2,18,20).
What are the key properties of [4-(4-propan-2-ylanilino)cyclohexyl]methyl carbamate?
[4-(4-propan-2-ylanilino)cyclohexyl]methyl carbamate has a molecular weight of 290.41 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-propan-2-ylanilino)cyclohexyl]methyl carbamate is sourced from PubChem (CID 175562113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).