5-methyl-2-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide

C12H17N3O2 — CID 62511070

IUPAC5-methyl-2-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CNC(=O)c1cc(C)ccc1NC
InChIInChI=1S/C12H17N3O2/c1-8-4-5-10(13-2)9(6-8)12(17)15-7-11(16)14-3/h4-6,13H,7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeySQOQSHHHWDWEDP-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.51
Rot. Bonds4

About 5-methyl-2-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide

5-methyl-2-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 62511070) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-methyl-2-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name5-methyl-2-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID62511070
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name5-methyl-2-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CNC(=O)c1cc(C)ccc1NC
InChIInChI=1S/C12H17N3O2/c1-8-4-5-10(13-2)9(6-8)12(17)15-7-11(16)14-3/h4-6,13H,7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeySQOQSHHHWDWEDP-UHFFFAOYSA-N
XLogP0.51
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62523940
N-[(2-chlorophenyl)methyl]-5-methyl-2-(methylamino)benzamide
CID 62510687
5-methyl-2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701834
N-(2-ethoxy-2-methylpropyl)-5-methyl-2-(methylamino)benzamide
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5-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 106432898
3-(methylamino)-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of 5-methyl-2-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide (CID 62511070) is 5-methyl-2-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 5-methyl-2-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 5-methyl-2-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide is CNC(=O)CNC(=O)c1cc(C)ccc1NC.
What is the InChIKey of 5-methyl-2-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is SQOQSHHHWDWEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-4-5-10(13-2)9(6-8)12(17)15-7-11(16)14-3/h4-6,13H,7H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 5-methyl-2-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide?
5-methyl-2-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 235.29 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 62511070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).