2-[N-(diethylcarbamoyl)anilino]acetic acid

C13H18N2O3 — CID 61187149

IUPAC2-[N-(diethylcarbamoyl)anilino]acetic acid
SMILESCCN(CC)C(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C13H18N2O3/c1-3-14(4-2)13(18)15(10-12(16)17)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,16,17)
InChIKeyWINGTDQYGMRXQL-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.04
Rot. Bonds5

About 2-[N-(diethylcarbamoyl)anilino]acetic acid

2-[N-(diethylcarbamoyl)anilino]acetic acid (PubChem CID 61187149) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[N-(diethylcarbamoyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[N-(diethylcarbamoyl)anilino]acetic acid
PubChem CID61187149
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[N-(diethylcarbamoyl)anilino]acetic acid
SMILESCCN(CC)C(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C13H18N2O3/c1-3-14(4-2)13(18)15(10-12(16)17)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,16,17)
InChIKeyWINGTDQYGMRXQL-UHFFFAOYSA-N
XLogP2.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-[ethyl(2-methylpropyl)carbamoyl]anilino)acetic acid
CID 61199656
2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid
CID 61186783
3-[N-(diethylcarbamoyl)anilino]propanoic acid
CID 61186963
2-(N-[methyl(pentan-3-yl)carbamoyl]anilino)acetic acid
CID 61202713
2-[ethyl-[ethyl-(2-methylphenyl)carbamoyl]amino]acetic acid
CID 61184616
2-[N-(2-methylpropanoyl)anilino]acetic acid
CID 28764984
1-ethyl-1-(hydroxymethyl)-3,3-diphenylurea
CID 23183847
2-(4-chloro-N-[ethyl(2-methoxyethyl)carbamoyl]anilino)acetic acid
CID 61447818
2-(N-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]anilino)acetic acid
CID 107481830
1-(3-amino-3-iminopropyl)-3,3-diethyl-1-phenylurea
CID 79161303
2-[N-[bis(2-hydroxyethyl)carbamoyl]-4-hydroxyanilino]acetic acid
CID 61235432
2-(N-[cyclopropyl(ethyl)carbamoyl]-4-hydroxyanilino)acetic acid
CID 61194308

Frequently Asked Questions

What is the IUPAC name of 2-[N-(diethylcarbamoyl)anilino]acetic acid?
The IUPAC name of 2-[N-(diethylcarbamoyl)anilino]acetic acid (CID 61187149) is 2-[N-(diethylcarbamoyl)anilino]acetic acid.
What is the SMILES notation for 2-[N-(diethylcarbamoyl)anilino]acetic acid?
The canonical SMILES for 2-[N-(diethylcarbamoyl)anilino]acetic acid is CCN(CC)C(=O)N(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-[N-(diethylcarbamoyl)anilino]acetic acid?
The InChIKey is WINGTDQYGMRXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-14(4-2)13(18)15(10-12(16)17)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,16,17).
What are the key properties of 2-[N-(diethylcarbamoyl)anilino]acetic acid?
2-[N-(diethylcarbamoyl)anilino]acetic acid has a molecular weight of 250.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(diethylcarbamoyl)anilino]acetic acid is sourced from PubChem (CID 61187149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).