3-(dimethylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide

C20H25N3O2 — CID 9431379

IUPAC3-(dimethylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C20H25N3O2/c1-14-8-6-9-15(2)19(14)21-18(24)13-23(5)20(25)16-10-7-11-17(12-16)22(3)4/h6-12H,13H2,1-5H3,(H,21,24)
InChIKeyUBMFQCRQHFCGFP-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.08
Rot. Bonds5

About 3-(dimethylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide

3-(dimethylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 9431379) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID9431379
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-(dimethylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C20H25N3O2/c1-14-8-6-9-15(2)19(14)21-18(24)13-23(5)20(25)16-10-7-11-17(12-16)22(3)4/h6-12H,13H2,1-5H3,(H,21,24)
InChIKeyUBMFQCRQHFCGFP-UHFFFAOYSA-N
XLogP3.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(dimethylamino)-N-methylbenzamide
CID 9431771
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 8500886
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide
CID 9426086
3-(difluoromethoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8500895
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3,4-dimethoxy-N-methylbenzamide
CID 9437901
2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 31936113
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 9011392
3-iodo-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27784015
3-cyano-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 8752557
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 24981969
2-[N-acetyl-4-(dimethylamino)anilino]-N-(2,6-dimethylphenyl)acetamide
CID 113176737
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-ethoxy-N-methyl-4-propoxybenzamide
CID 26619678

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 3-(dimethylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide (CID 9431379) is 3-(dimethylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 3-(dimethylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cccc(N(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is UBMFQCRQHFCGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-8-6-9-15(2)19(14)21-18(24)13-23(5)20(25)16-10-7-11-17(12-16)22(3)4/h6-12H,13H2,1-5H3,(H,21,24).
What are the key properties of 3-(dimethylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
3-(dimethylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 339.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 9431379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).