2-[2-ethoxyethyl-(4-methylbenzoyl)amino]propanoic acid

C15H21NO4 — CID 71201883

IUPAC2-[2-ethoxyethyl-(4-methylbenzoyl)amino]propanoic acid
SMILESCCOCCN(C(=O)c1ccc(C)cc1)C(C)C(=O)O
InChIInChI=1S/C15H21NO4/c1-4-20-10-9-16(12(3)15(18)19)14(17)13-7-5-11(2)6-8-13/h5-8,12H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyDDPCUCFDHGUAQM-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.95
Rot. Bonds7

About 2-[2-ethoxyethyl-(4-methylbenzoyl)amino]propanoic acid

2-[2-ethoxyethyl-(4-methylbenzoyl)amino]propanoic acid (PubChem CID 71201883) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-ethoxyethyl-(4-methylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[2-ethoxyethyl-(4-methylbenzoyl)amino]propanoic acid
PubChem CID71201883
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[2-ethoxyethyl-(4-methylbenzoyl)amino]propanoic acid
SMILESCCOCCN(C(=O)c1ccc(C)cc1)C(C)C(=O)O
InChIInChI=1S/C15H21NO4/c1-4-20-10-9-16(12(3)15(18)19)14(17)13-7-5-11(2)6-8-13/h5-8,12H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyDDPCUCFDHGUAQM-UHFFFAOYSA-N
XLogP1.95
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[benzoyl(2-carboxyethyl)amino]propanoic acid
CID 82324506
2-[2-carboxyethyl-(4-fluorobenzoyl)amino]propanoic acid
CID 82324857
2-[(4-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 60830660
N-(2-ethoxyethyl)-N-methylbenzamide
CID 81074695
4-[(4-methylbenzoyl)-propan-2-ylamino]butanoic acid
CID 54926186
N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63718241
methyl 4-[(2S)-2-[(4-chlorobenzoyl)-(3-ethoxypropyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 93141686
4-(chloromethyl)-N,N-bis(2-ethoxyethyl)benzamide
CID 82960871
methyl 4-[2-[(4-chlorobenzoyl)-(3-ethoxypropyl)amino]propanoyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 42679485
3-amino-N-(2-ethoxyethyl)-N,4-dimethylbenzamide
CID 81052864
2-methyl-3-[(4-methylbenzoyl)-(3-methylbutyl)amino]propanoic acid
CID 82324747
N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-methylbenzamide
CID 63692679

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxyethyl-(4-methylbenzoyl)amino]propanoic acid?
The IUPAC name of 2-[2-ethoxyethyl-(4-methylbenzoyl)amino]propanoic acid (CID 71201883) is 2-[2-ethoxyethyl-(4-methylbenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-[2-ethoxyethyl-(4-methylbenzoyl)amino]propanoic acid?
The canonical SMILES for 2-[2-ethoxyethyl-(4-methylbenzoyl)amino]propanoic acid is CCOCCN(C(=O)c1ccc(C)cc1)C(C)C(=O)O.
What is the InChIKey of 2-[2-ethoxyethyl-(4-methylbenzoyl)amino]propanoic acid?
The InChIKey is DDPCUCFDHGUAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-20-10-9-16(12(3)15(18)19)14(17)13-7-5-11(2)6-8-13/h5-8,12H,4,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-ethoxyethyl-(4-methylbenzoyl)amino]propanoic acid?
2-[2-ethoxyethyl-(4-methylbenzoyl)amino]propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxyethyl-(4-methylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 71201883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).