4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-methylbenzamide

C19H22N4O3 — CID 54811210

IUPAC4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CNc2ccc(N(C)C(C)=O)cc2)cc1
InChIInChI=1S/C19H22N4O3/c1-13(24)23(3)17-10-8-15(9-11-17)21-12-18(25)22-16-6-4-14(5-7-16)19(26)20-2/h4-11,21H,12H2,1-3H3,(H,20,26)(H,22,25)
InChIKeyKYRQOGRNAFOLEC-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.08
Rot. Bonds6

About 4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-methylbenzamide

4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-methylbenzamide (PubChem CID 54811210) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-methylbenzamide
PubChem CID54811210
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CNc2ccc(N(C)C(C)=O)cc2)cc1
InChIInChI=1S/C19H22N4O3/c1-13(24)23(3)17-10-8-15(9-11-17)21-12-18(25)22-16-6-4-14(5-7-16)19(26)20-2/h4-11,21H,12H2,1-3H3,(H,20,26)(H,22,25)
InChIKeyKYRQOGRNAFOLEC-UHFFFAOYSA-N
XLogP2.08
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-butylbenzamide
CID 54811232
4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846430
2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide
CID 54811000
4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834231
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-methoxyanilino)acetamide
CID 54812602
N-[4-[acetyl(methyl)amino]phenyl]-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822163
2-[4-[acetyl(methyl)amino]anilino]-N-(4-ethoxyphenyl)acetamide
CID 54810999
4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54846187
2-(3-acetamidoanilino)-N-[4-[acetyl(methyl)amino]phenyl]acetamide
CID 54831552
3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]benzamide
CID 54811372
4-[[2-(dimethylamino)acetyl]amino]-N-methylbenzamide
CID 54843994
2-[4-[acetyl(methyl)amino]anilino]-N-tert-butylacetamide
CID 54811252

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-methylbenzamide (CID 54811210) is 4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)CNc2ccc(N(C)C(C)=O)cc2)cc1.
What is the InChIKey of 4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-methylbenzamide?
The InChIKey is KYRQOGRNAFOLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13(24)23(3)17-10-8-15(9-11-17)21-12-18(25)22-16-6-4-14(5-7-16)19(26)20-2/h4-11,21H,12H2,1-3H3,(H,20,26)(H,22,25).
What are the key properties of 4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-methylbenzamide?
4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-methylbenzamide has a molecular weight of 354.41 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 54811210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).