3,5-dimethyl-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide

C19H21N3O3 — CID 18146235

IUPAC3,5-dimethyl-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide
SMILESCNC(=O)c1cccc(NC(=O)CNC(=O)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C19H21N3O3/c1-12-7-13(2)9-15(8-12)19(25)21-11-17(23)22-16-6-4-5-14(10-16)18(24)20-3/h4-10H,11H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyLWVQFHDRPRVSCX-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.03
Rot. Bonds5

About 3,5-dimethyl-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide

3,5-dimethyl-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide (PubChem CID 18146235) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide
PubChem CID18146235
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3,5-dimethyl-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide
SMILESCNC(=O)c1cccc(NC(=O)CNC(=O)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C19H21N3O3/c1-12-7-13(2)9-15(8-12)19(25)21-11-17(23)22-16-6-4-5-14(10-16)18(24)20-3/h4-10H,11H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyLWVQFHDRPRVSCX-UHFFFAOYSA-N
XLogP2.03
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 51220151
3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 26537864
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26712597
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
3-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54839782
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide
CID 26584037
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846159
N-methyl-3-[[2-(4-methylphenyl)acetyl]amino]benzamide
CID 18431848
N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide
CID 34830762
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 26593848
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide (CID 18146235) is 3,5-dimethyl-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide is CNC(=O)c1cccc(NC(=O)CNC(=O)c2cc(C)cc(C)c2)c1.
What is the InChIKey of 3,5-dimethyl-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide?
The InChIKey is LWVQFHDRPRVSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-7-13(2)9-15(8-12)19(25)21-11-17(23)22-16-6-4-5-14(10-16)18(24)20-3/h4-10H,11H2,1-3H3,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of 3,5-dimethyl-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide?
3,5-dimethyl-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide has a molecular weight of 339.40 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 18146235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).