4-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide

C13H20N2O — CID 81479378

IUPAC4-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
SMILESCNCC(C)CNC(=O)c1ccc(C)cc1
InChIInChI=1S/C13H20N2O/c1-10-4-6-12(7-5-10)13(16)15-9-11(2)8-14-3/h4-7,11,14H,8-9H2,1-3H3,(H,15,16)
InChIKeyPNMCFOJGADEOGE-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.58
Rot. Bonds5

About 4-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide

4-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide (PubChem CID 81479378) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
PubChem CID81479378
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
SMILESCNCC(C)CNC(=O)c1ccc(C)cc1
InChIInChI=1S/C13H20N2O/c1-10-4-6-12(7-5-10)13(16)15-9-11(2)8-14-3/h4-7,11,14H,8-9H2,1-3H3,(H,15,16)
InChIKeyPNMCFOJGADEOGE-UHFFFAOYSA-N
XLogP1.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methylpropyl)-4-methylbenzamide
CID 62668533
3,4-difluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide
CID 97325194
3,4-difluoro-N-[(2R)-2-methyl-3-(methylamino)propyl]benzamide
CID 97325195
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
4-methyl-N-[2-methyl-3-(methylamino)propyl]-3-nitrobenzamide
CID 81486705
6-bromo-N-[2-methyl-3-(methylamino)propyl]naphthalene-2-carboxamide
CID 115354259
3-bromo-4-fluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide
CID 99849695
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
2-amino-3-[(4-methylbenzoyl)amino]propanoic acid
CID 69303250
3-methyl-N-[2-methyl-3-(methylamino)propyl]furan-2-carboxamide
CID 81479014
N-[2-methyl-3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
CID 115302661
4-methyl-N-[3-(methylamino)propyl]benzamide
CID 18336628

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide?
The IUPAC name of 4-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide (CID 81479378) is 4-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide is CNCC(C)CNC(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide?
The InChIKey is PNMCFOJGADEOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-4-6-12(7-5-10)13(16)15-9-11(2)8-14-3/h4-7,11,14H,8-9H2,1-3H3,(H,15,16).
What are the key properties of 4-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide?
4-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide has a molecular weight of 220.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide is sourced from PubChem (CID 81479378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).