ethyl 2-(diethylcarbamoyloxy)-5-methylbenzoate

C15H21NO4 — CID 122517620

IUPACethyl 2-(diethylcarbamoyloxy)-5-methylbenzoate
SMILESCCOC(=O)c1cc(C)ccc1OC(=O)N(CC)CC
InChIInChI=1S/C15H21NO4/c1-5-16(6-2)15(18)20-13-9-8-11(4)10-12(13)14(17)19-7-3/h8-10H,5-7H2,1-4H3
InChIKeySPHGOBKLRXRLTC-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.01
Rot. Bonds5

About ethyl 2-(diethylcarbamoyloxy)-5-methylbenzoate

ethyl 2-(diethylcarbamoyloxy)-5-methylbenzoate (PubChem CID 122517620) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 2-(diethylcarbamoyloxy)-5-methylbenzoate.

Molecular Properties

Compound Nameethyl 2-(diethylcarbamoyloxy)-5-methylbenzoate
PubChem CID122517620
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Nameethyl 2-(diethylcarbamoyloxy)-5-methylbenzoate
SMILESCCOC(=O)c1cc(C)ccc1OC(=O)N(CC)CC
InChIInChI=1S/C15H21NO4/c1-5-16(6-2)15(18)20-13-9-8-11(4)10-12(13)14(17)19-7-3/h8-10H,5-7H2,1-4H3
InChIKeySPHGOBKLRXRLTC-UHFFFAOYSA-N
XLogP3.01
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

lithium;ethyl 5-methyl-2-sulfamoyloxybenzoate;hydride
CID 174205093
ethyl 4-methyl-2-(4-methylbenzoyl)benzoate
CID 102187690
[4-tert-butyl-2-(diethylcarbamoyl)phenyl] N,N-diethylcarbamate
CID 122517612
ethyl 2,3-difluoro-5-methylbenzoate
CID 122129684
ethyl 5-amino-2-methoxybenzoate
CID 22180184
ethyl 5-tert-butyl-2-ethoxycarbonyloxybenzoate
CID 122517402
(4-bromo-2-ethoxycarbonylphenyl) 5-bromo-2-ethoxybenzoate
CID 23012871
ethyl 2-(4-fluoro-2-methylanilino)-5-methylbenzoate
CID 155452836
ethyl 5-(hydroxymethyl)-2-methoxybenzoate
CID 131750236
ethyl 5-acetyl-2-methoxybenzoate
CID 97035919
ethyl 2-fluoro-5-methylbenzoate;2-fluoro-5-methylbenzoic acid
CID 158020470
N,N-diethyl-2,5-dimethylbenzamide
CID 15621070

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(diethylcarbamoyloxy)-5-methylbenzoate?
The IUPAC name of ethyl 2-(diethylcarbamoyloxy)-5-methylbenzoate (CID 122517620) is ethyl 2-(diethylcarbamoyloxy)-5-methylbenzoate.
What is the SMILES notation for ethyl 2-(diethylcarbamoyloxy)-5-methylbenzoate?
The canonical SMILES for ethyl 2-(diethylcarbamoyloxy)-5-methylbenzoate is CCOC(=O)c1cc(C)ccc1OC(=O)N(CC)CC.
What is the InChIKey of ethyl 2-(diethylcarbamoyloxy)-5-methylbenzoate?
The InChIKey is SPHGOBKLRXRLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-5-16(6-2)15(18)20-13-9-8-11(4)10-12(13)14(17)19-7-3/h8-10H,5-7H2,1-4H3.
What are the key properties of ethyl 2-(diethylcarbamoyloxy)-5-methylbenzoate?
ethyl 2-(diethylcarbamoyloxy)-5-methylbenzoate has a molecular weight of 279.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(diethylcarbamoyloxy)-5-methylbenzoate is sourced from PubChem (CID 122517620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).