3-(N-[2-(diethylamino)-2-oxoethyl]-2-methoxyanilino)propanoic acid

C16H24N2O4 — CID 95529086

IUPAC3-(N-[2-(diethylamino)-2-oxoethyl]-2-methoxyanilino)propanoic acid
SMILESCCN(CC)C(=O)CN(CCC(=O)O)c1ccccc1OC
InChIInChI=1S/C16H24N2O4/c1-4-17(5-2)15(19)12-18(11-10-16(20)21)13-8-6-7-9-14(13)22-3/h6-9H,4-5,10-12H2,1-3H3,(H,20,21)
InChIKeyYMCSANZQQLMSJU-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.84
Rot. Bonds9

About 3-(N-[2-(diethylamino)-2-oxoethyl]-2-methoxyanilino)propanoic acid

3-(N-[2-(diethylamino)-2-oxoethyl]-2-methoxyanilino)propanoic acid (PubChem CID 95529086) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(N-[2-(diethylamino)-2-oxoethyl]-2-methoxyanilino)propanoic acid.

Molecular Properties

Compound Name3-(N-[2-(diethylamino)-2-oxoethyl]-2-methoxyanilino)propanoic acid
PubChem CID95529086
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name3-(N-[2-(diethylamino)-2-oxoethyl]-2-methoxyanilino)propanoic acid
SMILESCCN(CC)C(=O)CN(CCC(=O)O)c1ccccc1OC
InChIInChI=1S/C16H24N2O4/c1-4-17(5-2)15(19)12-18(11-10-16(20)21)13-8-6-7-9-14(13)22-3/h6-9H,4-5,10-12H2,1-3H3,(H,20,21)
InChIKeyYMCSANZQQLMSJU-UHFFFAOYSA-N
XLogP1.84
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(N-[2-(diethylamino)-2-oxoethyl]-2-methoxyanilino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(N-[2-(diethylamino)-2-oxoethyl]-2-ethylanilino)propanoic acid
CID 95529076
3-(2-methoxy-N-pentylanilino)propanoic acid
CID 82318150
3-(N-[2-(diethylamino)-2-oxoethyl]-2,4-dimethylanilino)propanoic acid
CID 95529084
3-(N-[2-(diethylamino)-2-oxoethyl]-3-methylanilino)propanoic acid
CID 82316967
3-(2-methoxy-N-propan-2-ylanilino)propanoic acid
CID 82318620
3-[N-(benzenesulfonyl)-2-methoxyanilino]propanoic acid
CID 50891113
N,N-diethyl-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2274312
N-[2-(diethylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 134049675
3-[carboxymethyl-(2-methoxybenzoyl)amino]propanoic acid
CID 82324907
3-[[2-(2,6-dimethoxyphenyl)acetyl]-methylamino]propanoic acid
CID 119362723
3-[N-ethyl-2-methoxy-4-(methylaminomethyl)anilino]propanoic acid
CID 84754729
N-ethyl-N-(2-methoxyphenyl)benzamide
CID 138322543

Frequently Asked Questions

What is the IUPAC name of 3-(N-[2-(diethylamino)-2-oxoethyl]-2-methoxyanilino)propanoic acid?
The IUPAC name of 3-(N-[2-(diethylamino)-2-oxoethyl]-2-methoxyanilino)propanoic acid (CID 95529086) is 3-(N-[2-(diethylamino)-2-oxoethyl]-2-methoxyanilino)propanoic acid.
What is the SMILES notation for 3-(N-[2-(diethylamino)-2-oxoethyl]-2-methoxyanilino)propanoic acid?
The canonical SMILES for 3-(N-[2-(diethylamino)-2-oxoethyl]-2-methoxyanilino)propanoic acid is CCN(CC)C(=O)CN(CCC(=O)O)c1ccccc1OC.
What is the InChIKey of 3-(N-[2-(diethylamino)-2-oxoethyl]-2-methoxyanilino)propanoic acid?
The InChIKey is YMCSANZQQLMSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-4-17(5-2)15(19)12-18(11-10-16(20)21)13-8-6-7-9-14(13)22-3/h6-9H,4-5,10-12H2,1-3H3,(H,20,21).
What are the key properties of 3-(N-[2-(diethylamino)-2-oxoethyl]-2-methoxyanilino)propanoic acid?
3-(N-[2-(diethylamino)-2-oxoethyl]-2-methoxyanilino)propanoic acid has a molecular weight of 308.38 g/mol, XLogP of 1.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[2-(diethylamino)-2-oxoethyl]-2-methoxyanilino)propanoic acid is sourced from PubChem (CID 95529086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).