3-amino-4-[[methyl(pentyl)amino]methyl]benzamide

C14H23N3O — CID 43376020

IUPAC3-amino-4-[[methyl(pentyl)amino]methyl]benzamide
SMILESCCCCCN(C)Cc1ccc(C(N)=O)cc1N
InChIInChI=1S/C14H23N3O/c1-3-4-5-8-17(2)10-12-7-6-11(14(16)18)9-13(12)15/h6-7,9H,3-5,8,10,15H2,1-2H3,(H2,16,18)
InChIKeyYQOSPDACXICORH-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.99
Rot. Bonds7

About 3-amino-4-[[methyl(pentyl)amino]methyl]benzamide

3-amino-4-[[methyl(pentyl)amino]methyl]benzamide (PubChem CID 43376020) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-amino-4-[[methyl(pentyl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[[methyl(pentyl)amino]methyl]benzamide
PubChem CID43376020
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-amino-4-[[methyl(pentyl)amino]methyl]benzamide
SMILESCCCCCN(C)Cc1ccc(C(N)=O)cc1N
InChIInChI=1S/C14H23N3O/c1-3-4-5-8-17(2)10-12-7-6-11(14(16)18)9-13(12)15/h6-7,9H,3-5,8,10,15H2,1-2H3,(H2,16,18)
InChIKeyYQOSPDACXICORH-UHFFFAOYSA-N
XLogP1.99
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[[2-ethoxyethyl(methyl)amino]methyl]benzamide
CID 81052658
3-amino-4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzamide
CID 43376086
3-amino-4-ethylbenzamide
CID 19977641
3-amino-4-(diethylaminomethyl)benzamide
CID 43375439
3-amino-4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]benzamide
CID 43376075
3-amino-4-(heptoxymethyl)benzamide
CID 43376790
3-amino-4-[[(3-fluorophenyl)methyl-methylamino]methyl]benzamide
CID 43375822
3-amino-4-(dibutylamino)benzamide
CID 43448369
3-bromo-4-[[methyl(pentyl)amino]methyl]benzohydrazide
CID 102774523
3-amino-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzamide
CID 63233133
3-amino-4-[[ethyl(2-ethylbutyl)amino]methyl]benzamide
CID 43587416
4-[[(2-aminophenyl)methyl-methylamino]methyl]-3-fluorobenzamide
CID 43458579

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[methyl(pentyl)amino]methyl]benzamide?
The IUPAC name of 3-amino-4-[[methyl(pentyl)amino]methyl]benzamide (CID 43376020) is 3-amino-4-[[methyl(pentyl)amino]methyl]benzamide.
What is the SMILES notation for 3-amino-4-[[methyl(pentyl)amino]methyl]benzamide?
The canonical SMILES for 3-amino-4-[[methyl(pentyl)amino]methyl]benzamide is CCCCCN(C)Cc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-[[methyl(pentyl)amino]methyl]benzamide?
The InChIKey is YQOSPDACXICORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-4-5-8-17(2)10-12-7-6-11(14(16)18)9-13(12)15/h6-7,9H,3-5,8,10,15H2,1-2H3,(H2,16,18).
What are the key properties of 3-amino-4-[[methyl(pentyl)amino]methyl]benzamide?
3-amino-4-[[methyl(pentyl)amino]methyl]benzamide has a molecular weight of 249.36 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[methyl(pentyl)amino]methyl]benzamide is sourced from PubChem (CID 43376020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).