N-methyl-3-[4-(methylamino)butanoylamino]benzamide

C13H19N3O2 — CID 61259505

IUPACN-methyl-3-[4-(methylamino)butanoylamino]benzamide
SMILESCNCCCC(=O)Nc1cccc(C(=O)NC)c1
InChIInChI=1S/C13H19N3O2/c1-14-8-4-7-12(17)16-11-6-3-5-10(9-11)13(18)15-2/h3,5-6,9,14H,4,7-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyJPUNHOXPFWTMTJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.98
Rot. Bonds6

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

N-methyl-3-[4-(methylamino)butanoylamino]benzamide (PubChem CID 61259505) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-methyl-3-[4-(methylamino)butanoylamino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[4-(methylamino)butanoylamino]benzamide
PubChem CID61259505
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-methyl-3-[4-(methylamino)butanoylamino]benzamide
SMILESCNCCCC(=O)Nc1cccc(C(=O)NC)c1
InChIInChI=1S/C13H19N3O2/c1-14-8-4-7-12(17)16-11-6-3-5-10(9-11)13(18)15-2/h3,5-6,9,14H,4,7-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyJPUNHOXPFWTMTJ-UHFFFAOYSA-N
XLogP0.98
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminopropanoylamino)-N-methylbenzamide
CID 61258621
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
ethyl 3-[4-(methylamino)butanoylamino]benzoate;hydrochloride
CID 119692734
N-[3-[4-(methylamino)butanoylamino]phenyl]-3-(trifluoromethyl)benzamide
CID 119775980
N-(3-chlorophenyl)-4-(methylamino)butanamide
CID 60843448
3-[3-(2,2-dimethylpropanoylamino)propanoylamino]-N-methylbenzamide
CID 33171708
N-methyl-3-[[4-(methylamino)butanoylamino]methyl]benzamide
CID 119719954
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451
3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide
CID 17439563
3-[[2-[4-(2,6-dimethylanilino)-4-oxobutyl]sulfanylacetyl]amino]-N-methylbenzamide
CID 18289045
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N-methylbenzamide
CID 54837270

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-(methylamino)butanoylamino]benzamide?
The IUPAC name of N-methyl-3-[4-(methylamino)butanoylamino]benzamide (CID 61259505) is N-methyl-3-[4-(methylamino)butanoylamino]benzamide.
What is the SMILES notation for N-methyl-3-[4-(methylamino)butanoylamino]benzamide?
The canonical SMILES for N-methyl-3-[4-(methylamino)butanoylamino]benzamide is CNCCCC(=O)Nc1cccc(C(=O)NC)c1.
What is the InChIKey of N-methyl-3-[4-(methylamino)butanoylamino]benzamide?
The InChIKey is JPUNHOXPFWTMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-14-8-4-7-12(17)16-11-6-3-5-10(9-11)13(18)15-2/h3,5-6,9,14H,4,7-8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-methyl-3-[4-(methylamino)butanoylamino]benzamide?
N-methyl-3-[4-(methylamino)butanoylamino]benzamide has a molecular weight of 249.31 g/mol, XLogP of 0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-(methylamino)butanoylamino]benzamide is sourced from PubChem (CID 61259505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).