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

C19H22N2O3 — CID 8503609

IUPACN-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C19H22N2O3/c1-13-7-5-10-17(14(13)2)20-18(22)12-21(3)19(23)15-8-6-9-16(11-15)24-4/h5-11H,12H2,1-4H3,(H,20,22)
InChIKeyCHDYWTNJWBSZMT-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.02
Rot. Bonds5

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

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methoxy-N-methylbenzamide (PubChem CID 8503609) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methoxy-N-methylbenzamide
PubChem CID8503609
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C19H22N2O3/c1-13-7-5-10-17(14(13)2)20-18(22)12-21(3)19(23)15-8-6-9-16(11-15)24-4/h5-11H,12H2,1-4H3,(H,20,22)
InChIKeyCHDYWTNJWBSZMT-UHFFFAOYSA-N
XLogP3.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 8503637
3,5-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide
CID 9161434
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 51146033
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
4-(difluoromethoxy)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 26656595
N-[2-(tert-butylamino)-2-oxoethyl]-3-methoxy-N-methylbenzamide
CID 18118086
N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55820877
3-(difluoromethoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8500895
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2657594
N-(2,3-dimethylphenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9053927
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide
CID 71881091

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methoxy-N-methylbenzamide?
The IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methoxy-N-methylbenzamide (CID 8503609) is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methoxy-N-methylbenzamide?
The canonical SMILES for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methoxy-N-methylbenzamide is COc1cccc(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)c1.
What is the InChIKey of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methoxy-N-methylbenzamide?
The InChIKey is CHDYWTNJWBSZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-7-5-10-17(14(13)2)20-18(22)12-21(3)19(23)15-8-6-9-16(11-15)24-4/h5-11H,12H2,1-4H3,(H,20,22).
What are the key properties of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methoxy-N-methylbenzamide?
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methoxy-N-methylbenzamide has a molecular weight of 326.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 8503609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).