4-(ethylcarbamoyl)-2,6-dimethylbenzoic acid

C12H15NO3 — CID 20619420

IUPAC4-(ethylcarbamoyl)-2,6-dimethylbenzoic acid
SMILESCCNC(=O)c1cc(C)c(C(=O)O)c(C)c1
InChIInChI=1S/C12H15NO3/c1-4-13-11(14)9-5-7(2)10(12(15)16)8(3)6-9/h5-6H,4H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyUZHWQPRWAKZVAL-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.75
Rot. Bonds3

About 4-(ethylcarbamoyl)-2,6-dimethylbenzoic acid

4-(ethylcarbamoyl)-2,6-dimethylbenzoic acid (PubChem CID 20619420) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(ethylcarbamoyl)-2,6-dimethylbenzoic acid.

Molecular Properties

Compound Name4-(ethylcarbamoyl)-2,6-dimethylbenzoic acid
PubChem CID20619420
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name4-(ethylcarbamoyl)-2,6-dimethylbenzoic acid
SMILESCCNC(=O)c1cc(C)c(C(=O)O)c(C)c1
InChIInChI=1S/C12H15NO3/c1-4-13-11(14)9-5-7(2)10(12(15)16)8(3)6-9/h5-6H,4H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyUZHWQPRWAKZVAL-UHFFFAOYSA-N
XLogP1.75
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(ethylcarbamoylamino)-2,6-dimethylbenzoic acid
CID 20619421
4-chloro-N-ethyl-3-methylbenzamide
CID 18712033
4-bromo-N-ethyl-3-methylbenzamide
CID 18712023
N-ethyl-3,4-dimethyl-5-sulfamoylbenzamide
CID 47109334
N-ethyl-3,4-dimethoxy-5-methylbenzamide
CID 70790731
N-ethylbenzamide
CID 160772566
4-[5-(ethylcarbamoyl)-2-methylphenyl]benzoic acid
CID 86221983
N-ethyl-3-methyl-4-propan-2-ylbenzamide
CID 58969990
N-ethyl-3-methyl-4-pyrrolidin-1-ylbenzamide
CID 168512289
N-ethylbenzamide;hydrochloride
CID 57444995
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
N-ethyl-3-methyl-4-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119714183

Frequently Asked Questions

What is the IUPAC name of 4-(ethylcarbamoyl)-2,6-dimethylbenzoic acid?
The IUPAC name of 4-(ethylcarbamoyl)-2,6-dimethylbenzoic acid (CID 20619420) is 4-(ethylcarbamoyl)-2,6-dimethylbenzoic acid.
What is the SMILES notation for 4-(ethylcarbamoyl)-2,6-dimethylbenzoic acid?
The canonical SMILES for 4-(ethylcarbamoyl)-2,6-dimethylbenzoic acid is CCNC(=O)c1cc(C)c(C(=O)O)c(C)c1.
What is the InChIKey of 4-(ethylcarbamoyl)-2,6-dimethylbenzoic acid?
The InChIKey is UZHWQPRWAKZVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-4-13-11(14)9-5-7(2)10(12(15)16)8(3)6-9/h5-6H,4H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 4-(ethylcarbamoyl)-2,6-dimethylbenzoic acid?
4-(ethylcarbamoyl)-2,6-dimethylbenzoic acid has a molecular weight of 221.26 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylcarbamoyl)-2,6-dimethylbenzoic acid is sourced from PubChem (CID 20619420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).