2-[N,3-dimethyl-4-(methylaminomethyl)anilino]acetamide

C12H19N3O — CID 62136541

IUPAC2-[N,3-dimethyl-4-(methylaminomethyl)anilino]acetamide
SMILESCNCc1ccc(N(C)CC(N)=O)cc1C
InChIInChI=1S/C12H19N3O/c1-9-6-11(15(3)8-12(13)16)5-4-10(9)7-14-2/h4-6,14H,7-8H2,1-3H3,(H2,13,16)
InChIKeyQXEFKUGCOHYMMG-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.64
Rot. Bonds5

About 2-[N,3-dimethyl-4-(methylaminomethyl)anilino]acetamide

2-[N,3-dimethyl-4-(methylaminomethyl)anilino]acetamide (PubChem CID 62136541) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[N,3-dimethyl-4-(methylaminomethyl)anilino]acetamide.

Molecular Properties

Compound Name2-[N,3-dimethyl-4-(methylaminomethyl)anilino]acetamide
PubChem CID62136541
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[N,3-dimethyl-4-(methylaminomethyl)anilino]acetamide
SMILESCNCc1ccc(N(C)CC(N)=O)cc1C
InChIInChI=1S/C12H19N3O/c1-9-6-11(15(3)8-12(13)16)5-4-10(9)7-14-2/h4-6,14H,7-8H2,1-3H3,(H2,13,16)
InChIKeyQXEFKUGCOHYMMG-UHFFFAOYSA-N
XLogP0.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[N-(2-amino-2-oxoethyl)-3-methyl-4-(methylaminomethyl)anilino]acetamide
CID 62923686
N,N,3-trimethyl-4-(methylaminomethyl)aniline
CID 62135688
5-[N,3-dimethyl-4-(methylaminomethyl)anilino]pentan-1-ol
CID 107201156
N,3-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)aniline
CID 62135727
2-[N,3-dimethyl-4-[(propan-2-ylamino)methyl]anilino]-N-propan-2-ylacetamide
CID 62130131
2-[4-[(2-methoxyethylamino)methyl]-N,3-dimethylanilino]-N-methylacetamide
CID 63058604
N-[(2-chlorophenyl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline
CID 62135377
N,3-dimethyl-4-(methylaminomethyl)-N-[(5-methylfuran-2-yl)methyl]aniline
CID 62135016
2-[N-butyl-4-(ethylaminomethyl)-3-methylanilino]acetamide
CID 62128442
N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-N,3-dimethylanilino]acetamide
CID 62129290
N-[(3-bromophenyl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline
CID 62134209
3-methyl-4-(methylaminomethyl)benzoic acid
CID 117219353

Frequently Asked Questions

What is the IUPAC name of 2-[N,3-dimethyl-4-(methylaminomethyl)anilino]acetamide?
The IUPAC name of 2-[N,3-dimethyl-4-(methylaminomethyl)anilino]acetamide (CID 62136541) is 2-[N,3-dimethyl-4-(methylaminomethyl)anilino]acetamide.
What is the SMILES notation for 2-[N,3-dimethyl-4-(methylaminomethyl)anilino]acetamide?
The canonical SMILES for 2-[N,3-dimethyl-4-(methylaminomethyl)anilino]acetamide is CNCc1ccc(N(C)CC(N)=O)cc1C.
What is the InChIKey of 2-[N,3-dimethyl-4-(methylaminomethyl)anilino]acetamide?
The InChIKey is QXEFKUGCOHYMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-6-11(15(3)8-12(13)16)5-4-10(9)7-14-2/h4-6,14H,7-8H2,1-3H3,(H2,13,16).
What are the key properties of 2-[N,3-dimethyl-4-(methylaminomethyl)anilino]acetamide?
2-[N,3-dimethyl-4-(methylaminomethyl)anilino]acetamide has a molecular weight of 221.30 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N,3-dimethyl-4-(methylaminomethyl)anilino]acetamide is sourced from PubChem (CID 62136541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).