2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide

C18H29N3O5 — CID 6454431

IUPAC2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide
SMILESCCN(CC)CC(=O)Nc1c(C)cccc1C.O=C(O)CNCC(=O)O
InChIInChI=1S/C14H22N2O.C4H7NO4/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;6-3(7)1-5-2-4(8)9/h7-9H,5-6,10H2,1-4H3,(H,15,17);5H,1-2H2,(H,6,7)(H,8,9)
InChIKeyTVTOXPYLXHMVGW-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.33
Rot. Bonds9

About 2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide

2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide (PubChem CID 6454431) has the molecular formula C18H29N3O5 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide
PubChem CID6454431
Molecular FormulaC18H29N3O5
Molecular Weight367.45 g/mol
Exact Mass367.21
IUPAC Name2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide
SMILESCCN(CC)CC(=O)Nc1c(C)cccc1C.O=C(O)CNCC(=O)O
InChIInChI=1S/C14H22N2O.C4H7NO4/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;6-3(7)1-5-2-4(8)9/h7-9H,5-6,10H2,1-4H3,(H,15,17);5H,1-2H2,(H,6,7)(H,8,9)
InChIKeyTVTOXPYLXHMVGW-UHFFFAOYSA-N
XLogP1.33
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
CID 89442401
CID 89442401
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;formic acid
CID 166652856
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2,2,2-trichloroethane-1,1-diol
CID 67896039
N-(2,6-dimethylphenyl)-2-[ethyl(2-fluoroethyl)amino]acetamide
CID 135223290
N-(2,6-dimethylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78963573
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;prop-2-ynoxybenzene
CID 174517449
3-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]methyl]benzoic acid
CID 122029217
4-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]butanoic acid
CID 3079018
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid
CID 155092368
2-[7-[[2-(2,6-dimethylanilino)-2-oxoethyl]-propylamino]heptylamino]-N-(2,6-dimethylphenyl)acetamide
CID 155395021
N-(4-tert-butyl-2,6-dimethylphenyl)-2-(diethylamino)acetamide
CID 660469

Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide (CID 6454431) is 2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide is CCN(CC)CC(=O)Nc1c(C)cccc1C.O=C(O)CNCC(=O)O.
What is the InChIKey of 2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is TVTOXPYLXHMVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.C4H7NO4/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;6-3(7)1-5-2-4(8)9/h7-9H,5-6,10H2,1-4H3,(H,15,17);5H,1-2H2,(H,6,7)(H,8,9).
What are the key properties of 2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide?
2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 367.45 g/mol, XLogP of 1.33, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 6454431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).