2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]acetic acid

C14H20N2O3 — CID 43442470

IUPAC2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]acetic acid
SMILESCCN(C(=O)CN(C)CC(=O)O)c1ccccc1C
InChIInChI=1S/C14H20N2O3/c1-4-16(12-8-6-5-7-11(12)2)13(17)9-15(3)10-14(18)19/h5-8H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyZBTSBZAIEADSMA-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.36
Rot. Bonds6

About 2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]acetic acid

2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]acetic acid (PubChem CID 43442470) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]acetic acid
PubChem CID43442470
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]acetic acid
SMILESCCN(C(=O)CN(C)CC(=O)O)c1ccccc1C
InChIInChI=1S/C14H20N2O3/c1-4-16(12-8-6-5-7-11(12)2)13(17)9-15(3)10-14(18)19/h5-8H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyZBTSBZAIEADSMA-UHFFFAOYSA-N
XLogP1.36
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60987713
methyl 3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoate
CID 62013232
2-[ethyl-[ethyl-(2-methylphenyl)carbamoyl]amino]acetic acid
CID 61184616
5-(N-ethyl-2-methylanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 62934041
N-(2,6-dimethylphenyl)-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 8793555
N-ethyl-N-(2-methylphenyl)-2-(4-methylphenyl)acetamide
CID 3610846
2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467078
2-(2-aminophenyl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 18070776
N-ethyl-2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methylphenyl)acetamide
CID 62014625
2-[carboxymethyl-[methyl-(2-methylphenyl)carbamoyl]amino]acetic acid
CID 63644818
3-(N-ethyl-2-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896860
N,N'-diethyl-N,N'-bis(2-methylphenyl)-2-phenylpropanediamide
CID 3396233

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]acetic acid (CID 43442470) is 2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]acetic acid is CCN(C(=O)CN(C)CC(=O)O)c1ccccc1C.
What is the InChIKey of 2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]acetic acid?
The InChIKey is ZBTSBZAIEADSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-16(12-8-6-5-7-11(12)2)13(17)9-15(3)10-14(18)19/h5-8H,4,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]acetic acid?
2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]acetic acid has a molecular weight of 264.32 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]acetic acid is sourced from PubChem (CID 43442470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).