2-[ethyl-[(4-methoxy-2-methylphenyl)carbamoyl]amino]acetic acid

C13H18N2O4 — CID 55129490

IUPAC2-[ethyl-[(4-methoxy-2-methylphenyl)carbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Nc1ccc(OC)cc1C
InChIInChI=1S/C13H18N2O4/c1-4-15(8-12(16)17)13(18)14-11-6-5-10(19-3)7-9(11)2/h5-7H,4,8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyJELDHASPDRKWGJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.94
Rot. Bonds5

About 2-[ethyl-[(4-methoxy-2-methylphenyl)carbamoyl]amino]acetic acid

2-[ethyl-[(4-methoxy-2-methylphenyl)carbamoyl]amino]acetic acid (PubChem CID 55129490) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[ethyl-[(4-methoxy-2-methylphenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[(4-methoxy-2-methylphenyl)carbamoyl]amino]acetic acid
PubChem CID55129490
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[ethyl-[(4-methoxy-2-methylphenyl)carbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Nc1ccc(OC)cc1C
InChIInChI=1S/C13H18N2O4/c1-4-15(8-12(16)17)13(18)14-11-6-5-10(19-3)7-9(11)2/h5-7H,4,8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyJELDHASPDRKWGJ-UHFFFAOYSA-N
XLogP1.94
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylcarbamoylamino)-5-methoxybenzoic acid
CID 113304987
2-[(4-methoxy-2-methylphenyl)carbamoyl-methylamino]butanoic acid
CID 62871729
2-[[ethyl(propyl)carbamoyl]amino]-5-methoxybenzoic acid
CID 115412057
2-[(5-bromo-2-methylphenyl)carbamoyl-ethylamino]acetic acid
CID 61205603
4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3-methylbenzoic acid
CID 61184350
1-[2-(dimethylamino)ethyl]-1-ethyl-3-(2-fluoro-4-methoxyphenyl)urea
CID 118773614
2-methoxy-N-(4-methoxy-2-methylphenyl)acetamide
CID 62948733
N-(4-methoxy-2-methylphenyl)-3-oxobutanamide
CID 20565334
1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyl-4-propoxyphenyl)urea
CID 111926080
2-[ethyl-[(2,4,5-trifluorophenyl)carbamoyl]amino]acetic acid
CID 62809193
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid
CID 61181181

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(4-methoxy-2-methylphenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[(4-methoxy-2-methylphenyl)carbamoyl]amino]acetic acid (CID 55129490) is 2-[ethyl-[(4-methoxy-2-methylphenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[(4-methoxy-2-methylphenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[(4-methoxy-2-methylphenyl)carbamoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)Nc1ccc(OC)cc1C.
What is the InChIKey of 2-[ethyl-[(4-methoxy-2-methylphenyl)carbamoyl]amino]acetic acid?
The InChIKey is JELDHASPDRKWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-4-15(8-12(16)17)13(18)14-11-6-5-10(19-3)7-9(11)2/h5-7H,4,8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[ethyl-[(4-methoxy-2-methylphenyl)carbamoyl]amino]acetic acid?
2-[ethyl-[(4-methoxy-2-methylphenyl)carbamoyl]amino]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(4-methoxy-2-methylphenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 55129490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).