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

C₁₇H₂₆N₂O₂ — CID 175562113

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 CID: 175562113
• Molecular Formula: C₁₇H₂₆N₂O₂
• Molecular Weight: 290.41 g/mol
• Exact Mass: 290.20
• IUPAC Name: [4-(4-propan-2-ylanilino)cyclohexyl]methyl carbamate
• SMILES: CC(C)c1ccc(NC2CCC(COC(N)=O)CC2)cc1
• InChI: 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)
• InChIKey: IBTFNVYDXXDILS-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 64.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.41
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

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).

Sources

• PubChem CID 175562113 — identifiers, structure, computed properties (public domain)

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