butyl N-(2,4-dimethylphenyl)carbamate

C13H19NO2 — CID 528083

IUPACbutyl N-(2,4-dimethylphenyl)carbamate
SMILESCCCCOC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C13H19NO2/c1-4-5-8-16-13(15)14-12-7-6-10(2)9-11(12)3/h6-7,9H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyJRICEOSBCKGWME-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.65
Rot. Bonds4

About butyl N-(2,4-dimethylphenyl)carbamate

butyl N-(2,4-dimethylphenyl)carbamate (PubChem CID 528083) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is butyl N-(2,4-dimethylphenyl)carbamate.

Molecular Properties

Compound Namebutyl N-(2,4-dimethylphenyl)carbamate
PubChem CID528083
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namebutyl N-(2,4-dimethylphenyl)carbamate
SMILESCCCCOC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C13H19NO2/c1-4-5-8-16-13(15)14-12-7-6-10(2)9-11(12)3/h6-7,9H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyJRICEOSBCKGWME-UHFFFAOYSA-N
XLogP3.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.65
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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Frequently Asked Questions

What is the IUPAC name of butyl N-(2,4-dimethylphenyl)carbamate?
The IUPAC name of butyl N-(2,4-dimethylphenyl)carbamate (CID 528083) is butyl N-(2,4-dimethylphenyl)carbamate.
What is the SMILES notation for butyl N-(2,4-dimethylphenyl)carbamate?
The canonical SMILES for butyl N-(2,4-dimethylphenyl)carbamate is CCCCOC(=O)Nc1ccc(C)cc1C.
What is the InChIKey of butyl N-(2,4-dimethylphenyl)carbamate?
The InChIKey is JRICEOSBCKGWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-5-8-16-13(15)14-12-7-6-10(2)9-11(12)3/h6-7,9H,4-5,8H2,1-3H3,(H,14,15).
What are the key properties of butyl N-(2,4-dimethylphenyl)carbamate?
butyl N-(2,4-dimethylphenyl)carbamate has a molecular weight of 221.30 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(2,4-dimethylphenyl)carbamate is sourced from PubChem (CID 528083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).