4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-methoxybenzoic acid

C14H20N2O5 — CID 107209438

IUPAC4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-methoxybenzoic acid
SMILESCCN(CCOC)C(=O)Nc1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/C14H20N2O5/c1-4-16(7-8-20-2)14(19)15-10-5-6-11(13(17)18)12(9-10)21-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyXMZGKQWJHOLAKT-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.89
Rot. Bonds7

About 4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-methoxybenzoic acid

4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-methoxybenzoic acid (PubChem CID 107209438) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-methoxybenzoic acid
PubChem CID107209438
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-methoxybenzoic acid
SMILESCCN(CCOC)C(=O)Nc1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/C14H20N2O5/c1-4-16(7-8-20-2)14(19)15-10-5-6-11(13(17)18)12(9-10)21-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyXMZGKQWJHOLAKT-UHFFFAOYSA-N
XLogP1.89
TPSA88.10 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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 115296787
4-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209575
4-[[cyclopropyl(propyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209379
4-chloro-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 61447781
3-(4-aminophenyl)-1-ethyl-1-(2-methoxyethyl)urea
CID 54948448
2-chloro-4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]benzoic acid
CID 63691124
2-methoxy-4-[[methyl(prop-2-enyl)carbamoyl]amino]benzoic acid
CID 107209518
4-(carbamoylamino)-2-methoxybenzoic acid
CID 107208856
N-[4-(diethylcarbamoylamino)-2-methoxyphenyl]acetamide
CID 47222814
2-chloro-4-[[ethyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
CID 61399303
2-fluoro-5-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]benzoic acid
CID 103339889
2-methoxy-4-[[propan-2-yl(prop-2-enyl)carbamoyl]amino]benzoic acid
CID 107209521

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-methoxybenzoic acid?
The IUPAC name of 4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-methoxybenzoic acid (CID 107209438) is 4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-methoxybenzoic acid.
What is the SMILES notation for 4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-methoxybenzoic acid?
The canonical SMILES for 4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-methoxybenzoic acid is CCN(CCOC)C(=O)Nc1ccc(C(=O)O)c(OC)c1.
What is the InChIKey of 4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-methoxybenzoic acid?
The InChIKey is XMZGKQWJHOLAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-4-16(7-8-20-2)14(19)15-10-5-6-11(13(17)18)12(9-10)21-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-methoxybenzoic acid?
4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-methoxybenzoic acid has a molecular weight of 296.32 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-methoxybenzoic acid is sourced from PubChem (CID 107209438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).