butyl N-(4-methylcyclohexyl)-N-propylcarbamate

C15H29NO2 — CID 70848960

IUPACbutyl N-(4-methylcyclohexyl)-N-propylcarbamate
SMILESCCCCOC(=O)N(CCC)C1CCC(C)CC1
InChIInChI=1S/C15H29NO2/c1-4-6-12-18-15(17)16(11-5-2)14-9-7-13(3)8-10-14/h13-14H,4-12H2,1-3H3
InChIKeyYUGAXVTYFHSJBA-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.21
Rot. Bonds6

About butyl N-(4-methylcyclohexyl)-N-propylcarbamate

butyl N-(4-methylcyclohexyl)-N-propylcarbamate (PubChem CID 70848960) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is butyl N-(4-methylcyclohexyl)-N-propylcarbamate.

Molecular Properties

Compound Namebutyl N-(4-methylcyclohexyl)-N-propylcarbamate
PubChem CID70848960
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Namebutyl N-(4-methylcyclohexyl)-N-propylcarbamate
SMILESCCCCOC(=O)N(CCC)C1CCC(C)CC1
InChIInChI=1S/C15H29NO2/c1-4-6-12-18-15(17)16(11-5-2)14-9-7-13(3)8-10-14/h13-14H,4-12H2,1-3H3
InChIKeyYUGAXVTYFHSJBA-UHFFFAOYSA-N
XLogP4.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl N-(4-methylcyclohexyl)-N-propylcarbamate?
The IUPAC name of butyl N-(4-methylcyclohexyl)-N-propylcarbamate (CID 70848960) is butyl N-(4-methylcyclohexyl)-N-propylcarbamate.
What is the SMILES notation for butyl N-(4-methylcyclohexyl)-N-propylcarbamate?
The canonical SMILES for butyl N-(4-methylcyclohexyl)-N-propylcarbamate is CCCCOC(=O)N(CCC)C1CCC(C)CC1.
What is the InChIKey of butyl N-(4-methylcyclohexyl)-N-propylcarbamate?
The InChIKey is YUGAXVTYFHSJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-6-12-18-15(17)16(11-5-2)14-9-7-13(3)8-10-14/h13-14H,4-12H2,1-3H3.
What are the key properties of butyl N-(4-methylcyclohexyl)-N-propylcarbamate?
butyl N-(4-methylcyclohexyl)-N-propylcarbamate has a molecular weight of 255.40 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(4-methylcyclohexyl)-N-propylcarbamate is sourced from PubChem (CID 70848960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).