2-[N-(2-amino-2-oxoethyl)-3-methyl-4-(methylaminomethyl)anilino]acetamide

C13H20N4O2 — CID 62923686

IUPAC2-[N-(2-amino-2-oxoethyl)-3-methyl-4-(methylaminomethyl)anilino]acetamide
SMILESCNCc1ccc(N(CC(N)=O)CC(N)=O)cc1C
InChIInChI=1S/C13H20N4O2/c1-9-5-11(4-3-10(9)6-16-2)17(7-12(14)18)8-13(15)19/h3-5,16H,6-8H2,1-2H3,(H2,14,18)(H2,15,19)
InChIKeyQBPFXYPLGBPGFJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.51
Rot. Bonds7

About 2-[N-(2-amino-2-oxoethyl)-3-methyl-4-(methylaminomethyl)anilino]acetamide

2-[N-(2-amino-2-oxoethyl)-3-methyl-4-(methylaminomethyl)anilino]acetamide (PubChem CID 62923686) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[N-(2-amino-2-oxoethyl)-3-methyl-4-(methylaminomethyl)anilino]acetamide.

Molecular Properties

Compound Name2-[N-(2-amino-2-oxoethyl)-3-methyl-4-(methylaminomethyl)anilino]acetamide
PubChem CID62923686
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[N-(2-amino-2-oxoethyl)-3-methyl-4-(methylaminomethyl)anilino]acetamide
SMILESCNCc1ccc(N(CC(N)=O)CC(N)=O)cc1C
InChIInChI=1S/C13H20N4O2/c1-9-5-11(4-3-10(9)6-16-2)17(7-12(14)18)8-13(15)19/h3-5,16H,6-8H2,1-2H3,(H2,14,18)(H2,15,19)
InChIKeyQBPFXYPLGBPGFJ-UHFFFAOYSA-N
XLogP-0.51
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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,3-dimethyl-4-(methylaminomethyl)anilino]acetamide
CID 62136541
2-[N-butyl-4-(ethylaminomethyl)-3-methylanilino]acetamide
CID 62128442
N,N,3-trimethyl-4-(methylaminomethyl)aniline
CID 62135688
2-(4-amino-N-ethyl-3-methylanilino)acetamide
CID 54103671
N,N-bis(2-methoxyethyl)-3-methyl-4-(methylaminomethyl)aniline
CID 55039064
2-[4-(aminomethyl)-N-ethyl-3-methylanilino]-N-methylacetamide
CID 62136249
3-methyl-4-(methylaminomethyl)benzoic acid
CID 117219353
N-methyl-2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]acetamide
CID 62128436
N-ethyl-3-methyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 62136400
2-[4-(aminomethyl)-3-methyl-N-propan-2-ylanilino]acetamide
CID 62130970
3-methyl-4-(methylaminomethyl)aniline
CID 45078678
2-[4-[(2-methoxyethylamino)methyl]-3-methyl-N-propan-2-ylanilino]acetamide
CID 63072063

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-amino-2-oxoethyl)-3-methyl-4-(methylaminomethyl)anilino]acetamide?
The IUPAC name of 2-[N-(2-amino-2-oxoethyl)-3-methyl-4-(methylaminomethyl)anilino]acetamide (CID 62923686) is 2-[N-(2-amino-2-oxoethyl)-3-methyl-4-(methylaminomethyl)anilino]acetamide.
What is the SMILES notation for 2-[N-(2-amino-2-oxoethyl)-3-methyl-4-(methylaminomethyl)anilino]acetamide?
The canonical SMILES for 2-[N-(2-amino-2-oxoethyl)-3-methyl-4-(methylaminomethyl)anilino]acetamide is CNCc1ccc(N(CC(N)=O)CC(N)=O)cc1C.
What is the InChIKey of 2-[N-(2-amino-2-oxoethyl)-3-methyl-4-(methylaminomethyl)anilino]acetamide?
The InChIKey is QBPFXYPLGBPGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-5-11(4-3-10(9)6-16-2)17(7-12(14)18)8-13(15)19/h3-5,16H,6-8H2,1-2H3,(H2,14,18)(H2,15,19).
What are the key properties of 2-[N-(2-amino-2-oxoethyl)-3-methyl-4-(methylaminomethyl)anilino]acetamide?
2-[N-(2-amino-2-oxoethyl)-3-methyl-4-(methylaminomethyl)anilino]acetamide has a molecular weight of 264.33 g/mol, XLogP of -0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-amino-2-oxoethyl)-3-methyl-4-(methylaminomethyl)anilino]acetamide is sourced from PubChem (CID 62923686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).