butyl N-(2,6-diethylphenyl)carbamate

C15H23NO2 — CID 19174090

IUPACbutyl N-(2,6-diethylphenyl)carbamate
SMILESCCCCOC(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C15H23NO2/c1-4-7-11-18-15(17)16-14-12(5-2)9-8-10-13(14)6-3/h8-10H,4-7,11H2,1-3H3,(H,16,17)
InChIKeyDKOLMXOAZZFDOK-UHFFFAOYSA-N
MW249.35 g/mol
LogP4.16
Rot. Bonds6

About butyl N-(2,6-diethylphenyl)carbamate

butyl N-(2,6-diethylphenyl)carbamate (PubChem CID 19174090) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is butyl N-(2,6-diethylphenyl)carbamate.

Molecular Properties

Compound Namebutyl N-(2,6-diethylphenyl)carbamate
PubChem CID19174090
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Namebutyl N-(2,6-diethylphenyl)carbamate
SMILESCCCCOC(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C15H23NO2/c1-4-7-11-18-15(17)16-14-12(5-2)9-8-10-13(14)6-3/h8-10H,4-7,11H2,1-3H3,(H,16,17)
InChIKeyDKOLMXOAZZFDOK-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 54.16
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

(4-butoxyphenyl) N-(2,6-diethylphenyl)carbamate
CID 3423287
octadecyl N-(2,6-dimethylphenyl)carbamate
CID 10002058
butyl 2-(2,6-diethylanilino)propanoate
CID 20574818
butyl N-(6-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)carbamate;2-hydroxypropanoic acid
CID 68610690
2,2,2-trifluoroethyl N-(2,6-diethylphenyl)carbamate
CID 39871495
butyl 4-[2-(2,6-diethylanilino)-2-oxoethoxy]benzoate
CID 7984493
2-(butoxycarbonylamino)-6-propylbenzoic acid
CID 19845692
2-(butoxycarbonylamino)-6-butylbenzoic acid
CID 19845684
2-(dimethylamino)ethyl N-(2-ethyl-6-methylphenyl)carbamate
CID 44722433
butyl N-[4-[4-(butoxycarbonylamino)phenyl]phenyl]carbamate
CID 70896336
(2S)-2-amino-N-(2,6-diethylphenyl)hexanamide
CID 107143829
2-[3-(butoxycarbonylamino)phenyl]acetic acid
CID 70264268

Frequently Asked Questions

What is the IUPAC name of butyl N-(2,6-diethylphenyl)carbamate?
The IUPAC name of butyl N-(2,6-diethylphenyl)carbamate (CID 19174090) is butyl N-(2,6-diethylphenyl)carbamate.
What is the SMILES notation for butyl N-(2,6-diethylphenyl)carbamate?
The canonical SMILES for butyl N-(2,6-diethylphenyl)carbamate is CCCCOC(=O)Nc1c(CC)cccc1CC.
What is the InChIKey of butyl N-(2,6-diethylphenyl)carbamate?
The InChIKey is DKOLMXOAZZFDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-7-11-18-15(17)16-14-12(5-2)9-8-10-13(14)6-3/h8-10H,4-7,11H2,1-3H3,(H,16,17).
What are the key properties of butyl N-(2,6-diethylphenyl)carbamate?
butyl N-(2,6-diethylphenyl)carbamate has a molecular weight of 249.35 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(2,6-diethylphenyl)carbamate is sourced from PubChem (CID 19174090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).