2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide

C12H18N4O2 — CID 43374525

IUPAC2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CC(=O)Nc1ccccc1N
InChIInChI=1S/C12H18N4O2/c1-14-11(17)7-16(2)8-12(18)15-10-6-4-3-5-9(10)13/h3-6H,7-8,13H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyYDGGBRQHLSDCET-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.11
Rot. Bonds5

About 2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide

2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide (PubChem CID 43374525) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
PubChem CID43374525
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CC(=O)Nc1ccccc1N
InChIInChI=1S/C12H18N4O2/c1-14-11(17)7-16(2)8-12(18)15-10-6-4-3-5-9(10)13/h3-6H,7-8,13H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyYDGGBRQHLSDCET-UHFFFAOYSA-N
XLogP-0.11
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-2-[methyl(2-methylpropyl)amino]acetamide
CID 43271763
N-(2-aminophenyl)-2-[benzyl(methyl)amino]acetamide
CID 21483014
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78788147
N-(2-aminophenyl)-2-[cyclopropylmethyl(methyl)amino]acetamide
CID 54884484
2-[[2-(2-amino-6-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43376076
2-[(2-aminophenyl)methyl-methylamino]-N-methylacetamide
CID 43374465
2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374519
N-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43563126
N-(4-chlorophenyl)-2-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 78825949
2-[2-(2-aminophenyl)ethyl-methylamino]-N-methylacetamide
CID 62496408
2-[[2-(3-amino-4-fluoroanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374534
N-(2-aminophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 61242990

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide (CID 43374525) is 2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide is CNC(=O)CN(C)CC(=O)Nc1ccccc1N.
What is the InChIKey of 2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide?
The InChIKey is YDGGBRQHLSDCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-14-11(17)7-16(2)8-12(18)15-10-6-4-3-5-9(10)13/h3-6H,7-8,13H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of 2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide?
2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide has a molecular weight of 250.30 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 43374525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).