3-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methylbenzoic acid

C14H20N2O4 — CID 62948763

IUPAC3-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methylbenzoic acid
SMILESCCCN(CCO)C(=O)Nc1cccc(C(=O)O)c1C
InChIInChI=1S/C14H20N2O4/c1-3-7-16(8-9-17)14(20)15-12-6-4-5-11(10(12)2)13(18)19/h4-6,17H,3,7-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyVYDIPHVAFCIOQH-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.93
Rot. Bonds6

About 3-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methylbenzoic acid

3-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methylbenzoic acid (PubChem CID 62948763) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name3-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methylbenzoic acid
PubChem CID62948763
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methylbenzoic acid
SMILESCCCN(CCO)C(=O)Nc1cccc(C(=O)O)c1C
InChIInChI=1S/C14H20N2O4/c1-3-7-16(8-9-17)14(20)15-12-6-4-5-11(10(12)2)13(18)19/h4-6,17H,3,7-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyVYDIPHVAFCIOQH-UHFFFAOYSA-N
XLogP1.93
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]benzoic acid
CID 63113612
2-[2-[[2-hydroxyethyl(propyl)carbamoyl]amino]phenyl]acetic acid
CID 62535180
3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbenzoic acid
CID 102865703
4-fluoro-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]benzoic acid
CID 61425387
2,4-difluoro-5-[[2-hydroxyethyl(propyl)carbamoyl]amino]benzoic acid
CID 61425390
2-(dipropylcarbamoylamino)-5-methylbenzoic acid
CID 61183221
3-(3-chloro-2-methylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110890389
1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea
CID 60736581
3-[(2-carboxyacetyl)amino]-2-methylbenzoic acid
CID 62231492
3-(2-ethylbutanoylamino)-2-methylbenzoic acid
CID 6458658
1,1-dibutyl-3-(2,3-dimethylphenyl)urea
CID 4157557
2-methyl-3-[[methyl(phenyl)carbamoyl]amino]benzoic acid
CID 62948083

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methylbenzoic acid?
The IUPAC name of 3-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methylbenzoic acid (CID 62948763) is 3-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methylbenzoic acid.
What is the SMILES notation for 3-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methylbenzoic acid?
The canonical SMILES for 3-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methylbenzoic acid is CCCN(CCO)C(=O)Nc1cccc(C(=O)O)c1C.
What is the InChIKey of 3-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methylbenzoic acid?
The InChIKey is VYDIPHVAFCIOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-7-16(8-9-17)14(20)15-12-6-4-5-11(10(12)2)13(18)19/h4-6,17H,3,7-9H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 3-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methylbenzoic acid?
3-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methylbenzoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methylbenzoic acid is sourced from PubChem (CID 62948763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).