3-[[2-(2,6-diethylanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride

C16H25ClN2O3 — CID 119911645

IUPAC3-[[2-(2,6-diethylanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
SMILESCCc1cccc(CC)c1NC(=O)CN(C)CCC(=O)O.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-4-12-7-6-8-13(5-2)16(12)17-14(19)11-18(3)10-9-15(20)21;/h6-8H,4-5,9-11H2,1-3H3,(H,17,19)(H,20,21);1H
InChIKeyBWUPRGKAMMWMGM-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.58
Rot. Bonds8

About 3-[[2-(2,6-diethylanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride

3-[[2-(2,6-diethylanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride (PubChem CID 119911645) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is 3-[[2-(2,6-diethylanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[[2-(2,6-diethylanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
PubChem CID119911645
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name3-[[2-(2,6-diethylanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
SMILESCCc1cccc(CC)c1NC(=O)CN(C)CCC(=O)O.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-4-12-7-6-8-13(5-2)16(12)17-14(19)11-18(3)10-9-15(20)21;/h6-8H,4-5,9-11H2,1-3H3,(H,17,19)(H,20,21);1H
InChIKeyBWUPRGKAMMWMGM-UHFFFAOYSA-N
XLogP2.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-diethylphenyl)-2-[ethyl(methyl)amino]acetamide
CID 60516664
N-(2,6-diethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
CID 75392697
N-(2,6-diethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964124
2-[(2,6-diethylphenyl)carbamoyl-methylamino]acetic acid
CID 43318386
3-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119911846
2-[benzyl(ethyl)amino]-N-(2,6-diethylphenyl)acetamide
CID 78787460
N-(2,6-diethylphenyl)-3-(dipropylamino)propanamide
CID 109033127
3-[[2-(4-iodoanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119911438
N-(2,6-diethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153665
3-[[2-(3-aminoanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 82224717
N-(2,6-diethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 80723226
N-(2,6-diethylphenyl)-4-oxopentanamide
CID 65419318

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,6-diethylanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride?
The IUPAC name of 3-[[2-(2,6-diethylanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride (CID 119911645) is 3-[[2-(2,6-diethylanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[[2-(2,6-diethylanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride?
The canonical SMILES for 3-[[2-(2,6-diethylanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride is CCc1cccc(CC)c1NC(=O)CN(C)CCC(=O)O.Cl.
What is the InChIKey of 3-[[2-(2,6-diethylanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride?
The InChIKey is BWUPRGKAMMWMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-4-12-7-6-8-13(5-2)16(12)17-14(19)11-18(3)10-9-15(20)21;/h6-8H,4-5,9-11H2,1-3H3,(H,17,19)(H,20,21);1H.
What are the key properties of 3-[[2-(2,6-diethylanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride?
3-[[2-(2,6-diethylanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,6-diethylanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride is sourced from PubChem (CID 119911645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).