3-amino-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide

C11H15N3O2 — CID 43310303

IUPAC3-amino-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CNC(=O)c1cccc(N)c1C
InChIInChI=1S/C11H15N3O2/c1-7-8(4-3-5-9(7)12)11(16)14-6-10(15)13-2/h3-5H,6,12H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyVIXUOPSWOWWWIH-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.05
Rot. Bonds3

About 3-amino-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide

3-amino-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 43310303) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID43310303
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-amino-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CNC(=O)c1cccc(N)c1C
InChIInChI=1S/C11H15N3O2/c1-7-8(4-3-5-9(7)12)11(16)14-6-10(15)13-2/h3-5H,6,12H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyVIXUOPSWOWWWIH-UHFFFAOYSA-N
XLogP0.05
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methylbenzamide
CID 78984760
ethyl 2-[(3-amino-2-methylbenzoyl)amino]acetate
CID 60812497
3-amino-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide
CID 113333559
3-amino-2-methyl-N-prop-2-enylbenzamide
CID 28723067
3-[2-methyl-3-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]prop-2-enoic acid
CID 77073029
2-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 18106416
3-amino-2-methyl-N-(2,3,3-trimethylbutyl)benzamide
CID 83142819
2-amino-4-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 79714359
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-2-methylbenzamide
CID 18070893
3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 61140792
3-amino-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide
CID 61102386
3-amino-2-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 113449772

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of 3-amino-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide (CID 43310303) is 3-amino-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-amino-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-amino-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide is CNC(=O)CNC(=O)c1cccc(N)c1C.
What is the InChIKey of 3-amino-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is VIXUOPSWOWWWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-8(4-3-5-9(7)12)11(16)14-6-10(15)13-2/h3-5H,6,12H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 3-amino-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
3-amino-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 221.26 g/mol, XLogP of 0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 43310303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).