2-carbamoyl-3,4-dimethylbenzoate

C10H10NO3- — CID 22769833

IUPAC2-carbamoyl-3,4-dimethylbenzoate
SMILESCc1ccc(C(=O)[O-])c(C(N)=O)c1C
InChIInChI=1S/C10H11NO3/c1-5-3-4-7(10(13)14)8(6(5)2)9(11)12/h3-4H,1-2H3,(H2,11,12)(H,13,14)/p-1
InChIKeyQKYJEMIMXUCCCJ-UHFFFAOYSA-M
MW192.19 g/mol
LogP-0.23
Rot. Bonds2

About 2-carbamoyl-3,4-dimethylbenzoate

2-carbamoyl-3,4-dimethylbenzoate (PubChem CID 22769833) has the molecular formula C10H10NO3- and a molecular weight of 192.19 g/mol. Its IUPAC name is 2-carbamoyl-3,4-dimethylbenzoate.

Molecular Properties

Compound Name2-carbamoyl-3,4-dimethylbenzoate
PubChem CID22769833
Molecular FormulaC10H10NO3-
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name2-carbamoyl-3,4-dimethylbenzoate
SMILESCc1ccc(C(=O)[O-])c(C(N)=O)c1C
InChIInChI=1S/C10H11NO3/c1-5-3-4-7(10(13)14)8(6(5)2)9(11)12/h3-4H,1-2H3,(H2,11,12)(H,13,14)/p-1
InChIKeyQKYJEMIMXUCCCJ-UHFFFAOYSA-M
XLogP-0.23
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethylbenzene-1,3-dicarboxamide
CID 19767105
aluminum tris(2,3,6-trimethylbenzoate)
CID 22604250
2,3,4-trimethylbenzamide;hydrochloride
CID 67157686
2-hydroxy-3,6-dimethylbenzamide
CID 82266966
3-fluoro-2,4-dimethylbenzamide
CID 119006165
tetraazanium;benzene-1,2,3,4-tetracarboxylate
CID 69282657
1-(2-acetyl-3,4-dimethylphenyl)ethanone;methane
CID 175205419
2,3-bis(prop-1-en-2-yl)terephthalate
CID 22222062
diethyl 3,4-dimethylbenzene-1,2-dicarboxylate
CID 66647906
benzene-1,2,3,4-tetracarboxamide
CID 54274025
3,4-dimethyl-2-propylbenzamide
CID 154390636
2,6-dimethyl-3-nitrobenzamide
CID 118992531

Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-3,4-dimethylbenzoate?
The IUPAC name of 2-carbamoyl-3,4-dimethylbenzoate (CID 22769833) is 2-carbamoyl-3,4-dimethylbenzoate.
What is the SMILES notation for 2-carbamoyl-3,4-dimethylbenzoate?
The canonical SMILES for 2-carbamoyl-3,4-dimethylbenzoate is Cc1ccc(C(=O)[O-])c(C(N)=O)c1C.
What is the InChIKey of 2-carbamoyl-3,4-dimethylbenzoate?
The InChIKey is QKYJEMIMXUCCCJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11NO3/c1-5-3-4-7(10(13)14)8(6(5)2)9(11)12/h3-4H,1-2H3,(H2,11,12)(H,13,14)/p-1.
What are the key properties of 2-carbamoyl-3,4-dimethylbenzoate?
2-carbamoyl-3,4-dimethylbenzoate has a molecular weight of 192.19 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-3,4-dimethylbenzoate is sourced from PubChem (CID 22769833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).