2-(2-amino-2-oxoethyl)-N-methyl-6-(methylamino)benzamide

C11H15N3O2 — CID 123383294

IUPAC2-(2-amino-2-oxoethyl)-N-methyl-6-(methylamino)benzamide
SMILESCNC(=O)c1c(CC(N)=O)cccc1NC
InChIInChI=1S/C11H15N3O2/c1-13-8-5-3-4-7(6-9(12)15)10(8)11(16)14-2/h3-5,13H,6H2,1-2H3,(H2,12,15)(H,14,16)
InChIKeyUTRVPBKJSGYPJC-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.12
Rot. Bonds4

About 2-(2-amino-2-oxoethyl)-N-methyl-6-(methylamino)benzamide

2-(2-amino-2-oxoethyl)-N-methyl-6-(methylamino)benzamide (PubChem CID 123383294) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)-N-methyl-6-(methylamino)benzamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)-N-methyl-6-(methylamino)benzamide
PubChem CID123383294
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-(2-amino-2-oxoethyl)-N-methyl-6-(methylamino)benzamide
SMILESCNC(=O)c1c(CC(N)=O)cccc1NC
InChIInChI=1S/C11H15N3O2/c1-13-8-5-3-4-7(6-9(12)15)10(8)11(16)14-2/h3-5,13H,6H2,1-2H3,(H2,12,15)(H,14,16)
InChIKeyUTRVPBKJSGYPJC-UHFFFAOYSA-N
XLogP0.12
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)-N-methyl-6-(methylamino)benzamide?
The IUPAC name of 2-(2-amino-2-oxoethyl)-N-methyl-6-(methylamino)benzamide (CID 123383294) is 2-(2-amino-2-oxoethyl)-N-methyl-6-(methylamino)benzamide.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)-N-methyl-6-(methylamino)benzamide?
The canonical SMILES for 2-(2-amino-2-oxoethyl)-N-methyl-6-(methylamino)benzamide is CNC(=O)c1c(CC(N)=O)cccc1NC.
What is the InChIKey of 2-(2-amino-2-oxoethyl)-N-methyl-6-(methylamino)benzamide?
The InChIKey is UTRVPBKJSGYPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-13-8-5-3-4-7(6-9(12)15)10(8)11(16)14-2/h3-5,13H,6H2,1-2H3,(H2,12,15)(H,14,16).
What are the key properties of 2-(2-amino-2-oxoethyl)-N-methyl-6-(methylamino)benzamide?
2-(2-amino-2-oxoethyl)-N-methyl-6-(methylamino)benzamide has a molecular weight of 221.26 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethyl)-N-methyl-6-(methylamino)benzamide is sourced from PubChem (CID 123383294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).