2-ethoxy-3-ethyl-N,5-dimethylbenzamide

C13H19NO2 — CID 138534046

IUPAC2-ethoxy-3-ethyl-N,5-dimethylbenzamide
SMILESCCOc1c(CC)cc(C)cc1C(=O)NC
InChIInChI=1S/C13H19NO2/c1-5-10-7-9(3)8-11(13(15)14-4)12(10)16-6-2/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyZXTSFGFCOXNMSG-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.32
Rot. Bonds4

About 2-ethoxy-3-ethyl-N,5-dimethylbenzamide

2-ethoxy-3-ethyl-N,5-dimethylbenzamide (PubChem CID 138534046) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-ethoxy-3-ethyl-N,5-dimethylbenzamide.

Molecular Properties

Compound Name2-ethoxy-3-ethyl-N,5-dimethylbenzamide
PubChem CID138534046
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-ethoxy-3-ethyl-N,5-dimethylbenzamide
SMILESCCOc1c(CC)cc(C)cc1C(=O)NC
InChIInChI=1S/C13H19NO2/c1-5-10-7-9(3)8-11(13(15)14-4)12(10)16-6-2/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyZXTSFGFCOXNMSG-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-ethyl-2-methoxy-5-methylbenzoate
CID 20687255
3-amino-2-ethoxy-N-methylbenzamide
CID 112693169
(2,6-diethyl-4-methylphenyl) acetate
CID 68505166
4-ethoxy-5-ethyl-2,3-dimethylphenol
CID 162375138
2-fluoro-N,5-dimethyl-3-propan-2-ylbenzamide
CID 167606728
ethane;2-ethoxy-N-methylbenzamide
CID 142472808
4-(aminomethyl)-5-bromo-2-ethoxy-N-methylbenzamide
CID 22929731
4-ethoxy-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 121267960
4-(2-ethoxy-3,5-dimethylphenyl)-4-oxobutanoic acid
CID 82053193
ethyl 3-tert-butyl-2-ethoxy-5-methylbenzoate
CID 82551645
[2,3-diethoxy-6,7-dimethyl-4-(methylcarbamoyloxy)naphthalen-1-yl] N-methylcarbamate
CID 19886641
2-chloro-N,5-dimethyl-3-propan-2-ylbenzamide
CID 167606729

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-ethyl-N,5-dimethylbenzamide?
The IUPAC name of 2-ethoxy-3-ethyl-N,5-dimethylbenzamide (CID 138534046) is 2-ethoxy-3-ethyl-N,5-dimethylbenzamide.
What is the SMILES notation for 2-ethoxy-3-ethyl-N,5-dimethylbenzamide?
The canonical SMILES for 2-ethoxy-3-ethyl-N,5-dimethylbenzamide is CCOc1c(CC)cc(C)cc1C(=O)NC.
What is the InChIKey of 2-ethoxy-3-ethyl-N,5-dimethylbenzamide?
The InChIKey is ZXTSFGFCOXNMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-10-7-9(3)8-11(13(15)14-4)12(10)16-6-2/h7-8H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 2-ethoxy-3-ethyl-N,5-dimethylbenzamide?
2-ethoxy-3-ethyl-N,5-dimethylbenzamide has a molecular weight of 221.30 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-ethyl-N,5-dimethylbenzamide is sourced from PubChem (CID 138534046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).