3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-propylamino]propanoic acid

C16H24N2O3 — CID 82326667

IUPAC3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-propylamino]propanoic acid
SMILESCCCN(CCC(=O)O)CC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C16H24N2O3/c1-4-8-18(9-7-16(20)21)11-15(19)17-14-10-12(2)5-6-13(14)3/h5-6,10H,4,7-9,11H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyYWFLKEVQGMVRBK-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.43
Rot. Bonds8

About 3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-propylamino]propanoic acid

3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-propylamino]propanoic acid (PubChem CID 82326667) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-propylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-propylamino]propanoic acid
PubChem CID82326667
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-propylamino]propanoic acid
SMILESCCCN(CCC(=O)O)CC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C16H24N2O3/c1-4-8-18(9-7-16(20)21)11-15(19)17-14-10-12(2)5-6-13(14)3/h5-6,10H,4,7-9,11H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyYWFLKEVQGMVRBK-UHFFFAOYSA-N
XLogP2.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid
CID 82326666
N-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide
CID 109033115
2-[carboxymethyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]acetic acid
CID 12552996
3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60834098
N-(5-fluoro-2-methylphenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60693543
3-[(2,5-dimethylphenyl)carbamoyl-methylamino]propanoic acid
CID 61200119
N-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 61424715
2-[acetyl(pentyl)amino]-N-(2,5-dimethylphenyl)acetamide
CID 113166745
3-[butyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;hydrochloride
CID 2902080
N-(2,5-dimethylphenyl)-N',N'-dipropyloxamide
CID 108528705
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide
CID 9038815
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide
CID 84567734

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-propylamino]propanoic acid?
The IUPAC name of 3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-propylamino]propanoic acid (CID 82326667) is 3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-propylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-propylamino]propanoic acid?
The canonical SMILES for 3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-propylamino]propanoic acid is CCCN(CCC(=O)O)CC(=O)Nc1cc(C)ccc1C.
What is the InChIKey of 3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-propylamino]propanoic acid?
The InChIKey is YWFLKEVQGMVRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-8-18(9-7-16(20)21)11-15(19)17-14-10-12(2)5-6-13(14)3/h5-6,10H,4,7-9,11H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-propylamino]propanoic acid?
3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-propylamino]propanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-propylamino]propanoic acid is sourced from PubChem (CID 82326667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).