2-[[(4-ethylphenyl)-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid

C15H22N2O4 — CID 79269819

IUPAC2-[[(4-ethylphenyl)-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
SMILESCCc1ccc(N(C)C(=O)N(CCOC)CC(=O)O)cc1
InChIInChI=1S/C15H22N2O4/c1-4-12-5-7-13(8-6-12)16(2)15(20)17(9-10-21-3)11-14(18)19/h5-8H,4,9-11H2,1-3H3,(H,18,19)
InChIKeyAECCJYWRAVTRAM-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.84
Rot. Bonds7

About 2-[[(4-ethylphenyl)-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid

2-[[(4-ethylphenyl)-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid (PubChem CID 79269819) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[[(4-ethylphenyl)-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[(4-ethylphenyl)-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
PubChem CID79269819
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[[(4-ethylphenyl)-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
SMILESCCc1ccc(N(C)C(=O)N(CCOC)CC(=O)O)cc1
InChIInChI=1S/C15H22N2O4/c1-4-12-5-7-13(8-6-12)16(2)15(20)17(9-10-21-3)11-14(18)19/h5-8H,4,9-11H2,1-3H3,(H,18,19)
InChIKeyAECCJYWRAVTRAM-UHFFFAOYSA-N
XLogP1.84
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
2-[[methyl(phenyl)carbamoyl]-propylamino]acetic acid
CID 55133981
2-[carboxymethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid
CID 63644464
2-[ethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid
CID 62002689
2-[[3-[ethyl(methyl)carbamoyl]benzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189296
2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272261
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119188945
N-(4-ethylphenyl)-2-(2-methoxyethylamino)-N-methylacetamide
CID 79281989
2-(4-chloro-N-[ethyl(2-methoxyethyl)carbamoyl]anilino)acetic acid
CID 61447818
2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 63645121
2-[[2-(4-ethylsulfonylphenyl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 119189031

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-ethylphenyl)-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[(4-ethylphenyl)-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid (CID 79269819) is 2-[[(4-ethylphenyl)-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[(4-ethylphenyl)-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[(4-ethylphenyl)-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid is CCc1ccc(N(C)C(=O)N(CCOC)CC(=O)O)cc1.
What is the InChIKey of 2-[[(4-ethylphenyl)-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid?
The InChIKey is AECCJYWRAVTRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-12-5-7-13(8-6-12)16(2)15(20)17(9-10-21-3)11-14(18)19/h5-8H,4,9-11H2,1-3H3,(H,18,19).
What are the key properties of 2-[[(4-ethylphenyl)-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid?
2-[[(4-ethylphenyl)-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-ethylphenyl)-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 79269819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).