4-[2-hydroxyethyl-[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid

C14H20N2O5 — CID 61428084

IUPAC4-[2-hydroxyethyl-[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid
SMILESCOCCN(C)C(=O)N(CCO)c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H20N2O5/c1-15(8-10-21-2)14(20)16(7-9-17)12-5-3-11(4-6-12)13(18)19/h3-6,17H,7-10H2,1-2H3,(H,18,19)
InChIKeyFGJPQMFMLOBTLR-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.88
Rot. Bonds7

About 4-[2-hydroxyethyl-[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid

4-[2-hydroxyethyl-[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid (PubChem CID 61428084) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-[2-hydroxyethyl-[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[2-hydroxyethyl-[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid
PubChem CID61428084
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name4-[2-hydroxyethyl-[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid
SMILESCOCCN(C)C(=O)N(CCO)c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H20N2O5/c1-15(8-10-21-2)14(20)16(7-9-17)12-5-3-11(4-6-12)13(18)19/h3-6,17H,7-10H2,1-2H3,(H,18,19)
InChIKeyFGJPQMFMLOBTLR-UHFFFAOYSA-N
XLogP0.88
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-hydroxyethyl(3-propoxypropanoyl)amino]benzoic acid
CID 62715793
4-[2-hydroxyethyl(3-methylbut-2-enoyl)amino]benzoic acid
CID 60832607
4-[2-hydroxyethyl(prop-2-enoyl)amino]benzoic acid
CID 60832777
4-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]benzoic acid
CID 119186551
4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]benzoic acid
CID 62850824
N-(2-methoxyethyl)-N,3,4-trimethylbenzamide
CID 130399829
4-[2-hydroxyethyl(pyrimidine-5-carbonyl)amino]benzoic acid
CID 102921417
4-[2-aminoethylcarbamoyl(2-hydroxyethyl)amino]benzoic acid
CID 61403137
4-[2-methoxyethyl(pyrrolidin-1-ylsulfonyl)amino]benzoic acid
CID 154800853
4-[2-amino-5-[bis(2-methoxyethyl)amino]phenyl]benzoic acid
CID 18371335
N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772786
2-[2-methoxyethyl(methyl)carbamoyl]benzoic acid
CID 61041287

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl-[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 4-[2-hydroxyethyl-[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid (CID 61428084) is 4-[2-hydroxyethyl-[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 4-[2-hydroxyethyl-[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 4-[2-hydroxyethyl-[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid is COCCN(C)C(=O)N(CCO)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-hydroxyethyl-[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid?
The InChIKey is FGJPQMFMLOBTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-15(8-10-21-2)14(20)16(7-9-17)12-5-3-11(4-6-12)13(18)19/h3-6,17H,7-10H2,1-2H3,(H,18,19).
What are the key properties of 4-[2-hydroxyethyl-[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid?
4-[2-hydroxyethyl-[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid has a molecular weight of 296.32 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl-[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 61428084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).