3-acetamido-N-methyl-5-(methylaminomethyl)benzamide

C12H17N3O2 — CID 59821039

IUPAC3-acetamido-N-methyl-5-(methylaminomethyl)benzamide
SMILESCNCc1cc(NC(C)=O)cc(C(=O)NC)c1
InChIInChI=1S/C12H17N3O2/c1-8(16)15-11-5-9(7-13-2)4-10(6-11)12(17)14-3/h4-6,13H,7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyHWMLTLPRTCYJMI-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.72
Rot. Bonds4

About 3-acetamido-N-methyl-5-(methylaminomethyl)benzamide

3-acetamido-N-methyl-5-(methylaminomethyl)benzamide (PubChem CID 59821039) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-acetamido-N-methyl-5-(methylaminomethyl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-methyl-5-(methylaminomethyl)benzamide
PubChem CID59821039
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-acetamido-N-methyl-5-(methylaminomethyl)benzamide
SMILESCNCc1cc(NC(C)=O)cc(C(=O)NC)c1
InChIInChI=1S/C12H17N3O2/c1-8(16)15-11-5-9(7-13-2)4-10(6-11)12(17)14-3/h4-6,13H,7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyHWMLTLPRTCYJMI-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,5-bis(methylaminomethyl)phenyl]ethanone
CID 176977307
3-acetamido-N-[[4-(methylaminomethyl)phenyl]methyl]-5-(trifluoromethyl)benzamide;hydrochloride
CID 91645432
1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
CID 22943140
N-(3,5-diacetamidophenyl)acetamide
CID 12731559
3-ethyl-5-[[3-ethyl-5-(methylcarbamoyl)phenyl]methyl]-N-methylbenzamide
CID 159329944
3-acetamido-5-[(2,2-dimethylpropylamino)methyl]-N-(4-methoxyphenyl)benzamide
CID 126465306
3-acetamido-5-(aminomethyl)-N-(4-methoxyphenyl)benzamide
CID 118759804
3,4,5-trifluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 63186754
3,5-diacetyl-N-methylbenzamide;ethane
CID 142854666
3,5-diacetamido-N-(3,4-dichlorophenyl)benzamide
CID 2524728
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-methylbenzamide
CID 37176425
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-methyl-5-(methylaminomethyl)benzamide?
The IUPAC name of 3-acetamido-N-methyl-5-(methylaminomethyl)benzamide (CID 59821039) is 3-acetamido-N-methyl-5-(methylaminomethyl)benzamide.
What is the SMILES notation for 3-acetamido-N-methyl-5-(methylaminomethyl)benzamide?
The canonical SMILES for 3-acetamido-N-methyl-5-(methylaminomethyl)benzamide is CNCc1cc(NC(C)=O)cc(C(=O)NC)c1.
What is the InChIKey of 3-acetamido-N-methyl-5-(methylaminomethyl)benzamide?
The InChIKey is HWMLTLPRTCYJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(16)15-11-5-9(7-13-2)4-10(6-11)12(17)14-3/h4-6,13H,7H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 3-acetamido-N-methyl-5-(methylaminomethyl)benzamide?
3-acetamido-N-methyl-5-(methylaminomethyl)benzamide has a molecular weight of 235.29 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-methyl-5-(methylaminomethyl)benzamide is sourced from PubChem (CID 59821039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).