3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid

C15H22N2O4 — CID 82938747

IUPAC3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid
SMILESCOCCN(C(=O)Nc1cccc(C(=O)O)c1C)C(C)C
InChIInChI=1S/C15H22N2O4/c1-10(2)17(8-9-21-4)15(20)16-13-7-5-6-12(11(13)3)14(18)19/h5-7,10H,8-9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyCJWDOOVHMJXQDO-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.58
Rot. Bonds6

About 3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid

3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid (PubChem CID 82938747) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid
PubChem CID82938747
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid
SMILESCOCCN(C(=O)Nc1cccc(C(=O)O)c1C)C(C)C
InChIInChI=1S/C15H22N2O4/c1-10(2)17(8-9-21-4)15(20)16-13-7-5-6-12(11(13)3)14(18)19/h5-7,10H,8-9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyCJWDOOVHMJXQDO-UHFFFAOYSA-N
XLogP2.58
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 82939590
4-bromo-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 82939588
4-chloro-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 82937979
5-iodo-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 82938292
2-methyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]benzoic acid
CID 81036622
3-(1-methoxypropan-2-ylcarbamoylamino)-2-methylbenzoic acid
CID 62948247
2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid
CID 113458477
3-(methoxycarbonylamino)-2-methylbenzoic acid
CID 62947415
2-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82960932
2-[2-[2-methoxyethyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid
CID 104601741
3-(2-carboxypropanoylamino)-2-methylbenzoic acid
CID 114898046
3-(2-ethylbutanoylamino)-2-methylbenzoic acid
CID 6458658

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid?
The IUPAC name of 3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid (CID 82938747) is 3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid.
What is the SMILES notation for 3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid?
The canonical SMILES for 3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid is COCCN(C(=O)Nc1cccc(C(=O)O)c1C)C(C)C.
What is the InChIKey of 3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid?
The InChIKey is CJWDOOVHMJXQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10(2)17(8-9-21-4)15(20)16-13-7-5-6-12(11(13)3)14(18)19/h5-7,10H,8-9H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid?
3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid is sourced from PubChem (CID 82938747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).