N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3,5-dimethylbenzamide

C19H22N2O2 — CID 26593848

IUPACN-[2-(3,4-dimethylanilino)-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H22N2O2/c1-12-7-13(2)9-16(8-12)19(23)20-11-18(22)21-17-6-5-14(3)15(4)10-17/h5-10H,11H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyGPYFGEFPBURICO-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.29
Rot. Bonds4

About N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3,5-dimethylbenzamide

N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3,5-dimethylbenzamide (PubChem CID 26593848) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylanilino)-2-oxoethyl]-3,5-dimethylbenzamide
PubChem CID26593848
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[2-(3,4-dimethylanilino)-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H22N2O2/c1-12-7-13(2)9-16(8-12)19(23)20-11-18(22)21-17-6-5-14(3)15(4)10-17/h5-10H,11H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyGPYFGEFPBURICO-UHFFFAOYSA-N
XLogP3.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 26537864
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9412782
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9216095
N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 51220151
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411502
3,5-dimethyl-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 18146235
2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide
CID 18891735
N-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 55346201
3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 27256307
3,4-dimethyl-N-[2-oxo-2-(4-phenylanilino)ethyl]benzamide
CID 9414724
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26712597
3,5-dimethyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide
CID 38467305

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3,5-dimethylbenzamide (CID 26593848) is N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCC(=O)Nc2ccc(C)c(C)c2)c1.
What is the InChIKey of N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3,5-dimethylbenzamide?
The InChIKey is GPYFGEFPBURICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-12-7-13(2)9-16(8-12)19(23)20-11-18(22)21-17-6-5-14(3)15(4)10-17/h5-10H,11H2,1-4H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3,5-dimethylbenzamide?
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3,5-dimethylbenzamide has a molecular weight of 310.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 26593848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).