2-(ethylcarbamoylamino)-4,5-dimethoxybenzoic acid

C12H16N2O5 — CID 920391

IUPAC2-(ethylcarbamoylamino)-4,5-dimethoxybenzoic acid
SMILESCCNC(=O)Nc1cc(OC)c(OC)cc1C(=O)O
InChIInChI=1S/C12H16N2O5/c1-4-13-12(17)14-8-6-10(19-3)9(18-2)5-7(8)11(15)16/h5-6H,4H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyBDXHZMMAIDFPBE-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.54
Rot. Bonds5

About 2-(ethylcarbamoylamino)-4,5-dimethoxybenzoic acid

2-(ethylcarbamoylamino)-4,5-dimethoxybenzoic acid (PubChem CID 920391) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-(ethylcarbamoylamino)-4,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name2-(ethylcarbamoylamino)-4,5-dimethoxybenzoic acid
PubChem CID920391
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-(ethylcarbamoylamino)-4,5-dimethoxybenzoic acid
SMILESCCNC(=O)Nc1cc(OC)c(OC)cc1C(=O)O
InChIInChI=1S/C12H16N2O5/c1-4-13-12(17)14-8-6-10(19-3)9(18-2)5-7(8)11(15)16/h5-6H,4H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyBDXHZMMAIDFPBE-UHFFFAOYSA-N
XLogP1.54
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-Dimethoxy-2,4(1H,3H)-quinazolinedione
CID 120081
4,5-Dimethoxyanthranilic acid
CID 79736
Methyl 4,5-dimethoxyanthranilate
CID 611144
2-Amino-5-ethoxy-4-methoxybenzoic acid
CID 4962862
Avenanthramide 2
CID 101228785
4,5-dimethoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
CID 804546
2-[(3-Chlorophenyl)carbamoylamino]-4,5-dimethoxybenzoic acid
CID 915930
2-[(2-Benzylsulfanylacetyl)amino]-4,5-dimethoxybenzoic acid
CID 1311451
Methyl 4,5-dimethoxy-2-(pyrrolidine-1-carbothioylamino)benzoate
CID 1946601
6-(Cyclopentanecarbonylamino)-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
CID 8902909
Methyl 4,5-dimethoxy-2-[(4-methoxybenzoyl)amino]benzoate
CID 584792
Methyl 4,5-dimethoxy-2-{[(4-methylpiperazinyl)thioxomethyl]amino}benzoate
CID 1252212

Frequently Asked Questions

What is the IUPAC name of 2-(ethylcarbamoylamino)-4,5-dimethoxybenzoic acid?
The IUPAC name of 2-(ethylcarbamoylamino)-4,5-dimethoxybenzoic acid (CID 920391) is 2-(ethylcarbamoylamino)-4,5-dimethoxybenzoic acid.
What is the SMILES notation for 2-(ethylcarbamoylamino)-4,5-dimethoxybenzoic acid?
The canonical SMILES for 2-(ethylcarbamoylamino)-4,5-dimethoxybenzoic acid is CCNC(=O)Nc1cc(OC)c(OC)cc1C(=O)O.
What is the InChIKey of 2-(ethylcarbamoylamino)-4,5-dimethoxybenzoic acid?
The InChIKey is BDXHZMMAIDFPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-4-13-12(17)14-8-6-10(19-3)9(18-2)5-7(8)11(15)16/h5-6H,4H2,1-3H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-(ethylcarbamoylamino)-4,5-dimethoxybenzoic acid?
2-(ethylcarbamoylamino)-4,5-dimethoxybenzoic acid has a molecular weight of 268.27 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylcarbamoylamino)-4,5-dimethoxybenzoic acid is sourced from PubChem (CID 920391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).