3-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide

C18H21N3O2 — CID 86979182

IUPAC3-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide
SMILESCc1ccc(NC(=O)CN(C)Cc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-6-8-16(9-7-13)20-17(22)12-21(2)11-14-4-3-5-15(10-14)18(19)23/h3-10H,11-12H2,1-2H3,(H2,19,23)(H,20,22)
InChIKeyNGAVFYHEDTWWRS-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.16
Rot. Bonds6

About 3-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide

3-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide (PubChem CID 86979182) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide
PubChem CID86979182
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name3-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide
SMILESCc1ccc(NC(=O)CN(C)Cc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-6-8-16(9-7-13)20-17(22)12-21(2)11-14-4-3-5-15(10-14)18(19)23/h3-10H,11-12H2,1-2H3,(H2,19,23)(H,20,22)
InChIKeyNGAVFYHEDTWWRS-UHFFFAOYSA-N
XLogP2.16
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzamide
CID 9045380
2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 17431317
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
4-[[2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzamide
CID 126069872
N-methyl-4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide
CID 9003162
4-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzamide
CID 2657336
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8785624
2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9251256
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
methyl 3-[[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]methyl]benzoate
CID 9198110
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 9433713

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide?
The IUPAC name of 3-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide (CID 86979182) is 3-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide?
The canonical SMILES for 3-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide is Cc1ccc(NC(=O)CN(C)Cc2cccc(C(N)=O)c2)cc1.
What is the InChIKey of 3-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide?
The InChIKey is NGAVFYHEDTWWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-6-8-16(9-7-13)20-17(22)12-21(2)11-14-4-3-5-15(10-14)18(19)23/h3-10H,11-12H2,1-2H3,(H2,19,23)(H,20,22).
What are the key properties of 3-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide?
3-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide has a molecular weight of 311.39 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide is sourced from PubChem (CID 86979182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).