2-amino-N,6-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide

C12H17N3O2 — CID 43374604

IUPAC2-amino-N,6-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CN(C)C(=O)c1c(C)cccc1N
InChIInChI=1S/C12H17N3O2/c1-8-5-4-6-9(13)11(8)12(17)15(3)7-10(16)14-2/h4-6H,7,13H2,1-3H3,(H,14,16)
InChIKeyJKPPPTITSQMPPK-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.40
Rot. Bonds3

About 2-amino-N,6-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide

2-amino-N,6-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 43374604) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-amino-N,6-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-amino-N,6-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID43374604
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-amino-N,6-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CN(C)C(=O)c1c(C)cccc1N
InChIInChI=1S/C12H17N3O2/c1-8-5-4-6-9(13)11(8)12(17)15(3)7-10(16)14-2/h4-6H,7,13H2,1-3H3,(H,14,16)
InChIKeyJKPPPTITSQMPPK-UHFFFAOYSA-N
XLogP0.40
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2-amino-6-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43376076
3-amino-2-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 112574764
4-amino-N,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43374613
3-amino-2,6-difluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 79772944
2-amino-N,6-dimethyl-N-(2-phenylethyl)benzamide
CID 61108737
2-amino-N,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 55161858
2-amino-N,6-dimethyl-N-pentan-3-ylbenzamide
CID 43570574
N-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide
CID 107999875
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,6-dimethylbenzamide
CID 61118547
2,3-dihydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 114343941
2-amino-N-ethyl-6-methyl-N-propylbenzamide
CID 43268247
2-[amino-(2-amino-6-methylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 138509078

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,6-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of 2-amino-N,6-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide (CID 43374604) is 2-amino-N,6-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-amino-N,6-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-amino-N,6-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide is CNC(=O)CN(C)C(=O)c1c(C)cccc1N.
What is the InChIKey of 2-amino-N,6-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is JKPPPTITSQMPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-5-4-6-9(13)11(8)12(17)15(3)7-10(16)14-2/h4-6H,7,13H2,1-3H3,(H,14,16).
What are the key properties of 2-amino-N,6-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
2-amino-N,6-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 235.29 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,6-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 43374604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).