3-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide

C18H21N3O2 — CID 54839782

IUPAC3-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NCC(=O)Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H21N3O2/c1-12-7-13(2)9-16(8-12)21-17(22)11-20-15-6-4-5-14(10-15)18(23)19-3/h4-10,20H,11H2,1-3H3,(H,19,23)(H,21,22)
InChIKeySCFHIRRCGXWGNT-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.71
Rot. Bonds5

About 3-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide

3-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide (PubChem CID 54839782) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
PubChem CID54839782
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name3-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NCC(=O)Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H21N3O2/c1-12-7-13(2)9-16(8-12)21-17(22)11-20-15-6-4-5-14(10-15)18(23)19-3/h4-10,20H,11H2,1-3H3,(H,19,23)(H,21,22)
InChIKeySCFHIRRCGXWGNT-UHFFFAOYSA-N
XLogP2.71
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(3-bromoanilino)acetyl]amino]-N-methylbenzamide
CID 33159048
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide
CID 37176425
N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846159
3,5-dimethyl-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 18146235
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
N-ethyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54837724
3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54839900
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide
CID 54837270
methyl 4-[[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 33159218
N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810230
N-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54845988
N-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54839676

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide (CID 54839782) is 3-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NCC(=O)Nc2cc(C)cc(C)c2)c1.
What is the InChIKey of 3-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide?
The InChIKey is SCFHIRRCGXWGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-7-13(2)9-16(8-12)21-17(22)11-20-15-6-4-5-14(10-15)18(23)19-3/h4-10,20H,11H2,1-3H3,(H,19,23)(H,21,22).
What are the key properties of 3-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide?
3-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide has a molecular weight of 311.39 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide is sourced from PubChem (CID 54839782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).