3-[N-(diethylcarbamoyl)anilino]propanoic acid

C14H20N2O3 — CID 61186963

IUPAC3-[N-(diethylcarbamoyl)anilino]propanoic acid
SMILESCCN(CC)C(=O)N(CCC(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-3-15(4-2)14(19)16(11-10-13(17)18)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,17,18)
InChIKeyURKSMHHIYAZUQY-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.43
Rot. Bonds6

About 3-[N-(diethylcarbamoyl)anilino]propanoic acid

3-[N-(diethylcarbamoyl)anilino]propanoic acid (PubChem CID 61186963) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[N-(diethylcarbamoyl)anilino]propanoic acid.

Molecular Properties

Compound Name3-[N-(diethylcarbamoyl)anilino]propanoic acid
PubChem CID61186963
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[N-(diethylcarbamoyl)anilino]propanoic acid
SMILESCCN(CC)C(=O)N(CCC(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-3-15(4-2)14(19)16(11-10-13(17)18)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,17,18)
InChIKeyURKSMHHIYAZUQY-UHFFFAOYSA-N
XLogP2.43
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-(diethylcarbamoyl)anilino]acetic acid
CID 61187149
1-(3-amino-3-iminopropyl)-3,3-diethyl-1-phenylurea
CID 79161303
3-(N-[methyl(pentan-2-yl)carbamoyl]anilino)propanoic acid
CID 61203469
3-(N-octanoylanilino)propanoic acid
CID 60831115
3-(N-[2-hydroxypropyl(methyl)carbamoyl]anilino)propanoic acid
CID 62338366
3-[ethyl-[ethyl-(3-methylphenyl)carbamoyl]amino]propanoic acid
CID 61207119
2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid
CID 61186783
3-(N-[(2S)-2-aminobutanoyl]anilino)propanoic acid
CID 79023442
4-[[ethyl(phenyl)carbamoyl]-methylamino]butanoic acid
CID 43329801
3-(N-(2-propan-2-yloxyacetyl)anilino)propanoic acid
CID 112602036
2-(N-[ethyl(2-methylpropyl)carbamoyl]anilino)acetic acid
CID 61199656
3-[N-(butylcarbamoyl)anilino]propanoic acid
CID 60828926

Frequently Asked Questions

What is the IUPAC name of 3-[N-(diethylcarbamoyl)anilino]propanoic acid?
The IUPAC name of 3-[N-(diethylcarbamoyl)anilino]propanoic acid (CID 61186963) is 3-[N-(diethylcarbamoyl)anilino]propanoic acid.
What is the SMILES notation for 3-[N-(diethylcarbamoyl)anilino]propanoic acid?
The canonical SMILES for 3-[N-(diethylcarbamoyl)anilino]propanoic acid is CCN(CC)C(=O)N(CCC(=O)O)c1ccccc1.
What is the InChIKey of 3-[N-(diethylcarbamoyl)anilino]propanoic acid?
The InChIKey is URKSMHHIYAZUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-15(4-2)14(19)16(11-10-13(17)18)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,17,18).
What are the key properties of 3-[N-(diethylcarbamoyl)anilino]propanoic acid?
3-[N-(diethylcarbamoyl)anilino]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(diethylcarbamoyl)anilino]propanoic acid is sourced from PubChem (CID 61186963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).