3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]benzamide

C18H20N4O3 — CID 54811372

IUPAC3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]benzamide
SMILESCC(=O)N(C)c1ccc(NCC(=O)Nc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C18H20N4O3/c1-12(23)22(2)16-8-6-14(7-9-16)20-11-17(24)21-15-5-3-4-13(10-15)18(19)25/h3-10,20H,11H2,1-2H3,(H2,19,25)(H,21,24)
InChIKeyCGYYNIRQEWVLQK-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.82
Rot. Bonds6

About 3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]benzamide

3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]benzamide (PubChem CID 54811372) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]benzamide
PubChem CID54811372
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]benzamide
SMILESCC(=O)N(C)c1ccc(NCC(=O)Nc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C18H20N4O3/c1-12(23)22(2)16-8-6-14(7-9-16)20-11-17(24)21-15-5-3-4-13(10-15)18(19)25/h3-10,20H,11H2,1-2H3,(H2,19,25)(H,21,24)
InChIKeyCGYYNIRQEWVLQK-UHFFFAOYSA-N
XLogP1.82
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetamidoanilino)-N-[4-[acetyl(methyl)amino]phenyl]acetamide
CID 54831552
3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840717
3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54811092
3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54811040
3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54811009
3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837465
2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide
CID 54811000
3-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842173
3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837458
4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-methylbenzamide
CID 54811210
3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54813421
3-methyl-N-[4-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54840259

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]benzamide?
The IUPAC name of 3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]benzamide (CID 54811372) is 3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]benzamide is CC(=O)N(C)c1ccc(NCC(=O)Nc2cccc(C(N)=O)c2)cc1.
What is the InChIKey of 3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]benzamide?
The InChIKey is CGYYNIRQEWVLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12(23)22(2)16-8-6-14(7-9-16)20-11-17(24)21-15-5-3-4-13(10-15)18(19)25/h3-10,20H,11H2,1-2H3,(H2,19,25)(H,21,24).
What are the key properties of 3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]benzamide?
3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]benzamide has a molecular weight of 340.38 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54811372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).