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

C14H21N3O2 — CID 119719954

IUPACN-methyl-3-[[4-(methylamino)butanoylamino]methyl]benzamide
SMILESCNCCCC(=O)NCc1cccc(C(=O)NC)c1
InChIInChI=1S/C14H21N3O2/c1-15-8-4-7-13(18)17-10-11-5-3-6-12(9-11)14(19)16-2/h3,5-6,9,15H,4,7-8,10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyVUCHRKKQTVGDTN-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.66
Rot. Bonds7

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

N-methyl-3-[[4-(methylamino)butanoylamino]methyl]benzamide (PubChem CID 119719954) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-methyl-3-[[4-(methylamino)butanoylamino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[4-(methylamino)butanoylamino]methyl]benzamide
PubChem CID119719954
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-methyl-3-[[4-(methylamino)butanoylamino]methyl]benzamide
SMILESCNCCCC(=O)NCc1cccc(C(=O)NC)c1
InChIInChI=1S/C14H21N3O2/c1-15-8-4-7-13(18)17-10-11-5-3-6-12(9-11)14(19)16-2/h3,5-6,9,15H,4,7-8,10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyVUCHRKKQTVGDTN-UHFFFAOYSA-N
XLogP0.66
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.66
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

N-[2-(dimethylamino)ethyl]-3-[[4-(methylamino)butanoylamino]methyl]benzamide;dihydrochloride
CID 119867704
3-[[4-(methylamino)butanoylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119751881
3-[[[3-(benzylamino)-3-oxopropyl]carbamothioylamino]methyl]-N-methylbenzamide
CID 16664467
N-methyl-3-[4-(methylamino)butanoylamino]benzamide
CID 61259505
N-[(3-cyanophenyl)methyl]-4-(methylamino)butanamide
CID 54936460
N-[(3-ethoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119714458
3-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]-N-methylbenzamide
CID 46593452
N-[(3,4-difluorophenyl)methyl]-4-(methylamino)butanamide
CID 54966098
N-methyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]benzamide
CID 55690441
3-[(ethenylamino)methyl]-N-methylbenzamide
CID 156799319
3-[2-[[N-[3-(benzylamino)-3-oxopropyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111633471
3-[[6-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]hexanoylamino]methyl]-N-methylbenzamide
CID 135900292

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[4-(methylamino)butanoylamino]methyl]benzamide?
The IUPAC name of N-methyl-3-[[4-(methylamino)butanoylamino]methyl]benzamide (CID 119719954) is N-methyl-3-[[4-(methylamino)butanoylamino]methyl]benzamide.
What is the SMILES notation for N-methyl-3-[[4-(methylamino)butanoylamino]methyl]benzamide?
The canonical SMILES for N-methyl-3-[[4-(methylamino)butanoylamino]methyl]benzamide is CNCCCC(=O)NCc1cccc(C(=O)NC)c1.
What is the InChIKey of N-methyl-3-[[4-(methylamino)butanoylamino]methyl]benzamide?
The InChIKey is VUCHRKKQTVGDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-15-8-4-7-13(18)17-10-11-5-3-6-12(9-11)14(19)16-2/h3,5-6,9,15H,4,7-8,10H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-methyl-3-[[4-(methylamino)butanoylamino]methyl]benzamide?
N-methyl-3-[[4-(methylamino)butanoylamino]methyl]benzamide has a molecular weight of 263.34 g/mol, XLogP of 0.66, 7 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]methyl]benzamide is sourced from PubChem (CID 119719954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).