2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-ynylacetamide

C16H21N3O2 — CID 8789459

IUPAC2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN(C)CC(=O)Nc1ccccc1CC
InChIInChI=1S/C16H21N3O2/c1-4-10-17-15(20)11-19(3)12-16(21)18-14-9-7-6-8-13(14)5-2/h1,6-9H,5,10-12H2,2-3H3,(H,17,20)(H,18,21)
InChIKeyVOAXICJRNUHPMZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.87
Rot. Bonds7

About 2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-ynylacetamide

2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-ynylacetamide (PubChem CID 8789459) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-ynylacetamide
PubChem CID8789459
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN(C)CC(=O)Nc1ccccc1CC
InChIInChI=1S/C16H21N3O2/c1-4-10-17-15(20)11-19(3)12-16(21)18-14-9-7-6-8-13(14)5-2/h1,6-9H,5,10-12H2,2-3H3,(H,17,20)(H,18,21)
InChIKeyVOAXICJRNUHPMZ-UHFFFAOYSA-N
XLogP0.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 18083031
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 18135262
N-(4-bromophenyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 46562888
2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 9304031
N-(2-ethylphenyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 27095559
N-[(3-chlorophenyl)methyl]-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9304232
N-(2-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488425
2-(dipropylamino)-N-(2-ethylphenyl)acetamide
CID 109006597
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-prop-2-ynylacetamide
CID 8810170
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 9303583
N-cyclohexyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 17485054
N-[2-(aminomethyl)phenyl]-2-[ethyl(methyl)amino]acetamide
CID 43263109

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-ynylacetamide (CID 8789459) is 2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-ynylacetamide is C#CCNC(=O)CN(C)CC(=O)Nc1ccccc1CC.
What is the InChIKey of 2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-ynylacetamide?
The InChIKey is VOAXICJRNUHPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-10-17-15(20)11-19(3)12-16(21)18-14-9-7-6-8-13(14)5-2/h1,6-9H,5,10-12H2,2-3H3,(H,17,20)(H,18,21).
What are the key properties of 2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-ynylacetamide?
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-ynylacetamide has a molecular weight of 287.36 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-ynylacetamide is sourced from PubChem (CID 8789459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).