5-[[ethyl(methyl)carbamoyl]amino]-2-methylbenzoic acid

C12H16N2O3 — CID 63653015

IUPAC5-[[ethyl(methyl)carbamoyl]amino]-2-methylbenzoic acid
SMILESCCN(C)C(=O)Nc1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C12H16N2O3/c1-4-14(3)12(17)13-9-6-5-8(2)10(7-9)11(15)16/h5-7H,4H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyOJAKZHLLVCXSKB-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.18
Rot. Bonds3

About 5-[[ethyl(methyl)carbamoyl]amino]-2-methylbenzoic acid

5-[[ethyl(methyl)carbamoyl]amino]-2-methylbenzoic acid (PubChem CID 63653015) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-[[ethyl(methyl)carbamoyl]amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[[ethyl(methyl)carbamoyl]amino]-2-methylbenzoic acid
PubChem CID63653015
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-[[ethyl(methyl)carbamoyl]amino]-2-methylbenzoic acid
SMILESCCN(C)C(=O)Nc1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C12H16N2O3/c1-4-14(3)12(17)13-9-6-5-8(2)10(7-9)11(15)16/h5-7H,4H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyOJAKZHLLVCXSKB-UHFFFAOYSA-N
XLogP2.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-[[methyl(3-methylbutyl)carbamoyl]amino]benzoic acid
CID 63653370
5-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-2-methylbenzoic acid
CID 63653548
4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoic acid
CID 107793055
5-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid
CID 63653720
5-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylbenzoic acid
CID 63653892
2-methyl-5-[[propan-2-yl(propyl)carbamoyl]amino]benzoic acid
CID 63653539
5-[bis(prop-2-enyl)carbamoylamino]-2-methylbenzoic acid
CID 63654218
5-[[butyl(methyl)carbamoyl]amino]-2-chlorobenzoic acid
CID 61186407
5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid
CID 63653024
5-[[2-(ethylamino)acetyl]amino]-2-methylbenzoic acid
CID 63653512
5-[[(2S)-2-aminobutanoyl]amino]-2-methylbenzoic acid
CID 79023087
3-(3-carbamothioyl-4-fluorophenyl)-1-ethyl-1-methylurea
CID 79160236

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(methyl)carbamoyl]amino]-2-methylbenzoic acid?
The IUPAC name of 5-[[ethyl(methyl)carbamoyl]amino]-2-methylbenzoic acid (CID 63653015) is 5-[[ethyl(methyl)carbamoyl]amino]-2-methylbenzoic acid.
What is the SMILES notation for 5-[[ethyl(methyl)carbamoyl]amino]-2-methylbenzoic acid?
The canonical SMILES for 5-[[ethyl(methyl)carbamoyl]amino]-2-methylbenzoic acid is CCN(C)C(=O)Nc1ccc(C)c(C(=O)O)c1.
What is the InChIKey of 5-[[ethyl(methyl)carbamoyl]amino]-2-methylbenzoic acid?
The InChIKey is OJAKZHLLVCXSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-4-14(3)12(17)13-9-6-5-8(2)10(7-9)11(15)16/h5-7H,4H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 5-[[ethyl(methyl)carbamoyl]amino]-2-methylbenzoic acid?
5-[[ethyl(methyl)carbamoyl]amino]-2-methylbenzoic acid has a molecular weight of 236.27 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(methyl)carbamoyl]amino]-2-methylbenzoic acid is sourced from PubChem (CID 63653015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).