2-[[2-(3-ethynylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide

C16H21N3O2 — CID 78902898

IUPAC2-[[2-(3-ethynylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide
SMILESC#Cc1cccc(NC(=O)CN(C)C(C)C(=O)N(C)C)c1
InChIInChI=1S/C16H21N3O2/c1-6-13-8-7-9-14(10-13)17-15(20)11-19(5)12(2)16(21)18(3)4/h1,7-10,12H,11H2,2-5H3,(H,17,20)
InChIKeyPDVGWEUOQKMUNW-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.01
Rot. Bonds5

About 2-[[2-(3-ethynylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide

2-[[2-(3-ethynylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide (PubChem CID 78902898) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[2-(3-ethynylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[[2-(3-ethynylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide
PubChem CID78902898
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[[2-(3-ethynylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide
SMILESC#Cc1cccc(NC(=O)CN(C)C(C)C(=O)N(C)C)c1
InChIInChI=1S/C16H21N3O2/c1-6-13-8-7-9-14(10-13)17-15(20)11-19(5)12(2)16(21)18(3)4/h1,7-10,12H,11H2,2-5H3,(H,17,20)
InChIKeyPDVGWEUOQKMUNW-UHFFFAOYSA-N
XLogP1.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[2-(3-ethynylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide
CID 8555923
2-(3-ethynylanilino)-N,N-dimethylpropanamide
CID 43116515
N-(3-ethynylphenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide
CID 110898647
N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]acetamide
CID 55959084
N-(3-ethynylphenyl)-3-(propan-2-ylamino)propanamide
CID 60852147
4-chloro-N-[2-(3-ethynylanilino)-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 47049032
2-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]-N-(3-ethynylphenyl)acetamide
CID 133472822
N-(3-cyanophenyl)-2-[methyl-[(1S)-1-phenylethyl]amino]acetamide
CID 41047179
N-(3-ethynylphenyl)-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]-methylamino]acetamide
CID 110898649
N-(3-ethynylphenyl)-2-[(2-hydroxy-3-phenoxypropyl)-methylamino]acetamide
CID 110898643
N-(3-ethynylphenyl)-2-[methyl(1,2,4-thiadiazol-5-yl)amino]acetamide
CID 91651089
2-acetamido-N-(3-ethynylphenyl)acetamide
CID 47147171

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-ethynylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[[2-(3-ethynylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide (CID 78902898) is 2-[[2-(3-ethynylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[[2-(3-ethynylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[[2-(3-ethynylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide is C#Cc1cccc(NC(=O)CN(C)C(C)C(=O)N(C)C)c1.
What is the InChIKey of 2-[[2-(3-ethynylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide?
The InChIKey is PDVGWEUOQKMUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-6-13-8-7-9-14(10-13)17-15(20)11-19(5)12(2)16(21)18(3)4/h1,7-10,12H,11H2,2-5H3,(H,17,20).
What are the key properties of 2-[[2-(3-ethynylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide?
2-[[2-(3-ethynylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide has a molecular weight of 287.36 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-ethynylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 78902898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).