4-(4-methylphenyl)butyl N-cyclohexylcarbamate

C18H27NO2 — CID 90359705

IUPAC4-(4-methylphenyl)butyl N-cyclohexylcarbamate
SMILESCc1ccc(CCCCOC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H27NO2/c1-15-10-12-16(13-11-15)7-5-6-14-21-18(20)19-17-8-3-2-4-9-17/h10-13,17H,2-9,14H2,1H3,(H,19,20)
InChIKeyOBSRBNTXFPETDI-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.38
Rot. Bonds6

About 4-(4-methylphenyl)butyl N-cyclohexylcarbamate

4-(4-methylphenyl)butyl N-cyclohexylcarbamate (PubChem CID 90359705) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-(4-methylphenyl)butyl N-cyclohexylcarbamate.

Molecular Properties

Compound Name4-(4-methylphenyl)butyl N-cyclohexylcarbamate
PubChem CID90359705
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name4-(4-methylphenyl)butyl N-cyclohexylcarbamate
SMILESCc1ccc(CCCCOC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H27NO2/c1-15-10-12-16(13-11-15)7-5-6-14-21-18(20)19-17-8-3-2-4-9-17/h10-13,17H,2-9,14H2,1H3,(H,19,20)
InChIKeyOBSRBNTXFPETDI-UHFFFAOYSA-N
XLogP4.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

octadecyl N-cyclohexylcarbamate
CID 70449091
octyl N-cyclohexylcarbamate
CID 141434119
N-cyclohexyl-4-(4-pentylphenyl)benzamide
CID 3315464
2-chloroethyl N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]carbamate
CID 108566503
N-cyclooctyl-4-methylbenzamide
CID 3995245
4-butyl-N-cyclopentylbenzamide
CID 60674795
N-(cyclohexylmethyl)-4-(4-methylphenyl)butanamide
CID 55771489
N-[4-(4-methylphenyl)butylsulfamoyl]cyclopentanamine
CID 110627929
2-(4-methyl-1,3-thiazol-5-yl)ethyl N-cyclohexylcarbamate
CID 23797383
3-(cyclohexylcarbamoyloxy)propane-1-sulfonic acid
CID 118371123
2-[5-(4-methylphenyl)pentoxy]ethyl acetate
CID 57045041
2-bromoethyl N-cyclohexylcarbamate
CID 112683003

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)butyl N-cyclohexylcarbamate?
The IUPAC name of 4-(4-methylphenyl)butyl N-cyclohexylcarbamate (CID 90359705) is 4-(4-methylphenyl)butyl N-cyclohexylcarbamate.
What is the SMILES notation for 4-(4-methylphenyl)butyl N-cyclohexylcarbamate?
The canonical SMILES for 4-(4-methylphenyl)butyl N-cyclohexylcarbamate is Cc1ccc(CCCCOC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)butyl N-cyclohexylcarbamate?
The InChIKey is OBSRBNTXFPETDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-15-10-12-16(13-11-15)7-5-6-14-21-18(20)19-17-8-3-2-4-9-17/h10-13,17H,2-9,14H2,1H3,(H,19,20).
What are the key properties of 4-(4-methylphenyl)butyl N-cyclohexylcarbamate?
4-(4-methylphenyl)butyl N-cyclohexylcarbamate has a molecular weight of 289.42 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)butyl N-cyclohexylcarbamate is sourced from PubChem (CID 90359705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).