2-[2-[benzyl(methyl)amino]anilino]-N-(methylcarbamoyl)acetamide

C18H22N4O2 — CID 51098899

IUPAC2-[2-[benzyl(methyl)amino]anilino]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CNc1ccccc1N(C)Cc1ccccc1
InChIInChI=1S/C18H22N4O2/c1-19-18(24)21-17(23)12-20-15-10-6-7-11-16(15)22(2)13-14-8-4-3-5-9-14/h3-11,20H,12-13H2,1-2H3,(H2,19,21,23,24)
InChIKeyZMPLIYACROOXSJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.19
Rot. Bonds6

About 2-[2-[benzyl(methyl)amino]anilino]-N-(methylcarbamoyl)acetamide

2-[2-[benzyl(methyl)amino]anilino]-N-(methylcarbamoyl)acetamide (PubChem CID 51098899) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[2-[benzyl(methyl)amino]anilino]-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[2-[benzyl(methyl)amino]anilino]-N-(methylcarbamoyl)acetamide
PubChem CID51098899
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-[2-[benzyl(methyl)amino]anilino]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CNc1ccccc1N(C)Cc1ccccc1
InChIInChI=1S/C18H22N4O2/c1-19-18(24)21-17(23)12-20-15-10-6-7-11-16(15)22(2)13-14-8-4-3-5-9-14/h3-11,20H,12-13H2,1-2H3,(H2,19,21,23,24)
InChIKeyZMPLIYACROOXSJ-UHFFFAOYSA-N
XLogP2.19
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[benzyl(methyl)amino]anilino]-N-(4-methylsulfonylphenyl)acetamide
CID 60609393
N-(benzylcarbamoyl)-2-[2-[cyclopentyl(methyl)amino]anilino]acetamide
CID 71849649
N-[2-[benzyl(methyl)amino]phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119864866
2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide
CID 60685209
1-[2-[benzyl(methyl)amino]phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
CID 60603780
1-[2-[benzyl(methyl)amino]phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437683
4-[[2-[benzyl(methyl)amino]phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122078232
2-[2-(dimethylamino)anilino]-N-(2-fluorophenyl)acetamide
CID 106759760
3-[2-aminoethyl(benzyl)amino]-N-(methylcarbamoyl)propanamide
CID 104859038
2-(5-chloro-2-phenoxyanilino)-N-(methylcarbamoyl)acetamide
CID 26526675
1-[2-[benzyl(methyl)amino]phenyl]propan-1-one
CID 112677258
2-(4-ethylanilino)-N-(methylcarbamoyl)acetamide
CID 46537872

Frequently Asked Questions

What is the IUPAC name of 2-[2-[benzyl(methyl)amino]anilino]-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-[2-[benzyl(methyl)amino]anilino]-N-(methylcarbamoyl)acetamide (CID 51098899) is 2-[2-[benzyl(methyl)amino]anilino]-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-[2-[benzyl(methyl)amino]anilino]-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-[2-[benzyl(methyl)amino]anilino]-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CNc1ccccc1N(C)Cc1ccccc1.
What is the InChIKey of 2-[2-[benzyl(methyl)amino]anilino]-N-(methylcarbamoyl)acetamide?
The InChIKey is ZMPLIYACROOXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-19-18(24)21-17(23)12-20-15-10-6-7-11-16(15)22(2)13-14-8-4-3-5-9-14/h3-11,20H,12-13H2,1-2H3,(H2,19,21,23,24).
What are the key properties of 2-[2-[benzyl(methyl)amino]anilino]-N-(methylcarbamoyl)acetamide?
2-[2-[benzyl(methyl)amino]anilino]-N-(methylcarbamoyl)acetamide has a molecular weight of 326.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[benzyl(methyl)amino]anilino]-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 51098899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).