2-[anilinomethyl(methyl)amino]-N,N-dimethylacetamide

C12H19N3O — CID 141036638

IUPAC2-[anilinomethyl(methyl)amino]-N,N-dimethylacetamide
SMILESCN(CNc1ccccc1)CC(=O)N(C)C
InChIInChI=1S/C12H19N3O/c1-14(2)12(16)9-15(3)10-13-11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3
InChIKeyCYIHQJCYWFUTIH-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.08
Rot. Bonds5

About 2-[anilinomethyl(methyl)amino]-N,N-dimethylacetamide

2-[anilinomethyl(methyl)amino]-N,N-dimethylacetamide (PubChem CID 141036638) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[anilinomethyl(methyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[anilinomethyl(methyl)amino]-N,N-dimethylacetamide
PubChem CID141036638
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[anilinomethyl(methyl)amino]-N,N-dimethylacetamide
SMILESCN(CNc1ccccc1)CC(=O)N(C)C
InChIInChI=1S/C12H19N3O/c1-14(2)12(16)9-15(3)10-13-11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3
InChIKeyCYIHQJCYWFUTIH-UHFFFAOYSA-N
XLogP1.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-anilino-N,N-dimethylpropanamide
CID 60961994
N-(anilinomethyl)-N-methylacetamide
CID 102126839
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 34557487
N-(benzylcarbamoyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 18196365
N,N-dimethyl-2-[methyl(2-phenylsulfanylethyl)amino]acetamide
CID 78962685
3-(2-anilinoethyl)-1,1-dimethylurea
CID 142040993
2-[[2-(N-benzylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
CID 134045987
2-(4-bromoanilino)-N,N-dimethylacetamide
CID 28581140
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(1-phenylcyclobutyl)acetamide
CID 87014095
2-anilino-N,N-diethylacetamide;hydrochloride
CID 119671427
N-(4-aminophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 43374598
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide
CID 8712033

Frequently Asked Questions

What is the IUPAC name of 2-[anilinomethyl(methyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[anilinomethyl(methyl)amino]-N,N-dimethylacetamide (CID 141036638) is 2-[anilinomethyl(methyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[anilinomethyl(methyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[anilinomethyl(methyl)amino]-N,N-dimethylacetamide is CN(CNc1ccccc1)CC(=O)N(C)C.
What is the InChIKey of 2-[anilinomethyl(methyl)amino]-N,N-dimethylacetamide?
The InChIKey is CYIHQJCYWFUTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-14(2)12(16)9-15(3)10-13-11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3.
What are the key properties of 2-[anilinomethyl(methyl)amino]-N,N-dimethylacetamide?
2-[anilinomethyl(methyl)amino]-N,N-dimethylacetamide has a molecular weight of 221.30 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[anilinomethyl(methyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 141036638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).