N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide

C19H22N2O2 — CID 8503637

IUPACN-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C19H22N2O2/c1-13-7-5-9-16(11-13)19(23)21(4)12-18(22)20-17-10-6-8-14(2)15(17)3/h5-11H,12H2,1-4H3,(H,20,22)
InChIKeyNIGKLEOFTCIYKX-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.32
Rot. Bonds4

About N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide (PubChem CID 8503637) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide
PubChem CID8503637
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C19H22N2O2/c1-13-7-5-9-16(11-13)19(23)21(4)12-18(22)20-17-10-6-8-14(2)15(17)3/h5-11H,12H2,1-4H3,(H,20,22)
InChIKeyNIGKLEOFTCIYKX-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methoxy-N-methylbenzamide
CID 8503609
4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8503588
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 38035453
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 51146033
3,5-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide
CID 9161434
N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55820877
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(3-methylphenyl)propanamide
CID 51276851
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide
CID 71881091
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8504343
4-(difluoromethoxy)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 26656595
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 7936791
4-(difluoromethylsulfonyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8503563

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide?
The IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide (CID 8503637) is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide.
What is the SMILES notation for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide?
The canonical SMILES for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)c1.
What is the InChIKey of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide?
The InChIKey is NIGKLEOFTCIYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13-7-5-9-16(11-13)19(23)21(4)12-18(22)20-17-10-6-8-14(2)15(17)3/h5-11H,12H2,1-4H3,(H,20,22).
What are the key properties of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide?
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide has a molecular weight of 310.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide is sourced from PubChem (CID 8503637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).