4-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide

C18H21N3O2 — CID 54846091

IUPAC4-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H21N3O2/c1-12-4-5-13(2)16(10-12)21-17(22)11-20-15-8-6-14(7-9-15)18(23)19-3/h4-10,20H,11H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyDHLMIFRNYVAOAA-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.71
Rot. Bonds5

About 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide

4-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide (PubChem CID 54846091) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
PubChem CID54846091
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name4-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H21N3O2/c1-12-4-5-13(2)16(10-12)21-17(22)11-20-15-8-6-14(7-9-15)18(23)19-3/h4-10,20H,11H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyDHLMIFRNYVAOAA-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

2-(3,4-dichloroanilino)-N-(2,5-dimethylphenyl)acetamide
CID 26416900
4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54846384
4-[[2-[(2,5-dimethylphenyl)sulfonylamino]acetyl]amino]-N-methylbenzamide
CID 9164619
N-(2,5-dimethylphenyl)-2-(methylamino)acetamide
CID 2396341
N-tert-butyl-4-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]benzamide
CID 31699354
N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide
CID 17257324
N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846159
4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840290
N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide
CID 54846158
2-(4-acetylanilino)-N-(5-fluoro-2-methylphenyl)acetamide
CID 18096453
3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide
CID 43711940
4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9084001

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide (CID 54846091) is 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NCC(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide?
The InChIKey is DHLMIFRNYVAOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-4-5-13(2)16(10-12)21-17(22)11-20-15-8-6-14(7-9-15)18(23)19-3/h4-10,20H,11H2,1-3H3,(H,19,23)(H,21,22).
What are the key properties of 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide?
4-[[2-(2,5-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 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide is sourced from PubChem (CID 54846091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).