N-(4-methylphenyl)-N-octylcarbamate

C16H24NO2- — CID 57360038

IUPACN-(4-methylphenyl)-N-octylcarbamate
SMILESCCCCCCCCN(C(=O)[O-])c1ccc(C)cc1
InChIInChI=1S/C16H25NO2/c1-3-4-5-6-7-8-13-17(16(18)19)15-11-9-14(2)10-12-15/h9-12H,3-8,13H2,1-2H3,(H,18,19)/p-1
InChIKeyOODPNOCCUVOZNC-UHFFFAOYSA-M
MW262.37 g/mol
LogP3.51
Rot. Bonds8

About N-(4-methylphenyl)-N-octylcarbamate

N-(4-methylphenyl)-N-octylcarbamate (PubChem CID 57360038) has the molecular formula C16H24NO2- and a molecular weight of 262.37 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-octylcarbamate.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-octylcarbamate
PubChem CID57360038
Molecular FormulaC16H24NO2-
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC NameN-(4-methylphenyl)-N-octylcarbamate
SMILESCCCCCCCCN(C(=O)[O-])c1ccc(C)cc1
InChIInChI=1S/C16H25NO2/c1-3-4-5-6-7-8-13-17(16(18)19)15-11-9-14(2)10-12-15/h9-12H,3-8,13H2,1-2H3,(H,18,19)/p-1
InChIKeyOODPNOCCUVOZNC-UHFFFAOYSA-M
XLogP3.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.51
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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Related Compounds

N-[3-[carboxylato(pentyl)amino]-4-methylphenyl]-N-pentylcarbamate
CID 57360084
N-(2-chloroethyl)-N-(4-methylphenyl)carbamate
CID 57353360
1,3-bis[4-(hydroxymethyl)phenyl]-1,3-dipentylurea
CID 129120364
N,N-diheptyl-4-methylaniline
CID 20558578
octyl(phenyl)carbamic acid
CID 54301990
(4-aminophenyl)-icosylcarbamic acid
CID 57279079
4-[butyl-(4-methylbenzoyl)amino]benzoic acid
CID 20787968
N-hexyl-N-phenylacetamide
CID 13217997
N-decyl-4-hydroxy-N-(4-hydroxyphenyl)benzamide
CID 168861521
N-heptyl-N-(3-methylphenyl)propanamide
CID 167100434
ethane;4-methyl-N,N-dipentylaniline
CID 144729542
N-hexyl-N-pyridin-4-yloctanamide
CID 102480897

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-octylcarbamate?
The IUPAC name of N-(4-methylphenyl)-N-octylcarbamate (CID 57360038) is N-(4-methylphenyl)-N-octylcarbamate.
What is the SMILES notation for N-(4-methylphenyl)-N-octylcarbamate?
The canonical SMILES for N-(4-methylphenyl)-N-octylcarbamate is CCCCCCCCN(C(=O)[O-])c1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-octylcarbamate?
The InChIKey is OODPNOCCUVOZNC-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H25NO2/c1-3-4-5-6-7-8-13-17(16(18)19)15-11-9-14(2)10-12-15/h9-12H,3-8,13H2,1-2H3,(H,18,19)/p-1.
What are the key properties of N-(4-methylphenyl)-N-octylcarbamate?
N-(4-methylphenyl)-N-octylcarbamate has a molecular weight of 262.37 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-octylcarbamate is sourced from PubChem (CID 57360038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).