3-[2-(2-methoxyethylcarbamoyl)anilino]-2-methyl-3-oxopropanoic acid

C14H18N2O5 — CID 114897363

IUPAC3-[2-(2-methoxyethylcarbamoyl)anilino]-2-methyl-3-oxopropanoic acid
SMILESCOCCNC(=O)c1ccccc1NC(=O)C(C)C(=O)O
InChIInChI=1S/C14H18N2O5/c1-9(14(19)20)12(17)16-11-6-4-3-5-10(11)13(18)15-7-8-21-2/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyHZCUPSVFLZOPQT-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.72
Rot. Bonds7

About 3-[2-(2-methoxyethylcarbamoyl)anilino]-2-methyl-3-oxopropanoic acid

3-[2-(2-methoxyethylcarbamoyl)anilino]-2-methyl-3-oxopropanoic acid (PubChem CID 114897363) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-[2-(2-methoxyethylcarbamoyl)anilino]-2-methyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[2-(2-methoxyethylcarbamoyl)anilino]-2-methyl-3-oxopropanoic acid
PubChem CID114897363
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name3-[2-(2-methoxyethylcarbamoyl)anilino]-2-methyl-3-oxopropanoic acid
SMILESCOCCNC(=O)c1ccccc1NC(=O)C(C)C(=O)O
InChIInChI=1S/C14H18N2O5/c1-9(14(19)20)12(17)16-11-6-4-3-5-10(11)13(18)15-7-8-21-2/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyHZCUPSVFLZOPQT-UHFFFAOYSA-N
XLogP0.72
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 2211958
N-(2-methoxyethyl)-2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 9173265
2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 26076449
2-(3-aminobutanoylamino)-N-(2-methoxyethyl)benzamide
CID 60836653
2-[2-(4-bromophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 132666482
N-(2-methoxyethyl)-2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide
CID 133210259
2-anilino-N-(2-methoxyethyl)benzamide
CID 27659255
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
2-[2-(3-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 43908435
N-(2-methoxyethyl)-2-(3-phenylpropanoylamino)benzamide
CID 2206654
2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 9172865
2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide
CID 2230013

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethylcarbamoyl)anilino]-2-methyl-3-oxopropanoic acid?
The IUPAC name of 3-[2-(2-methoxyethylcarbamoyl)anilino]-2-methyl-3-oxopropanoic acid (CID 114897363) is 3-[2-(2-methoxyethylcarbamoyl)anilino]-2-methyl-3-oxopropanoic acid.
What is the SMILES notation for 3-[2-(2-methoxyethylcarbamoyl)anilino]-2-methyl-3-oxopropanoic acid?
The canonical SMILES for 3-[2-(2-methoxyethylcarbamoyl)anilino]-2-methyl-3-oxopropanoic acid is COCCNC(=O)c1ccccc1NC(=O)C(C)C(=O)O.
What is the InChIKey of 3-[2-(2-methoxyethylcarbamoyl)anilino]-2-methyl-3-oxopropanoic acid?
The InChIKey is HZCUPSVFLZOPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-9(14(19)20)12(17)16-11-6-4-3-5-10(11)13(18)15-7-8-21-2/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 3-[2-(2-methoxyethylcarbamoyl)anilino]-2-methyl-3-oxopropanoic acid?
3-[2-(2-methoxyethylcarbamoyl)anilino]-2-methyl-3-oxopropanoic acid has a molecular weight of 294.31 g/mol, XLogP of 0.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethylcarbamoyl)anilino]-2-methyl-3-oxopropanoic acid is sourced from PubChem (CID 114897363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).