N-[3-[benzyl(methyl)amino]propyl]benzamide

C18H22N2O — CID 60701380

IUPACN-[3-[benzyl(methyl)amino]propyl]benzamide
SMILESCN(CCCNC(=O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H22N2O/c1-20(15-16-9-4-2-5-10-16)14-8-13-19-18(21)17-11-6-3-7-12-17/h2-7,9-12H,8,13-15H2,1H3,(H,19,21)
InChIKeyDDSXTSOVLFUCEC-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.94
Rot. Bonds7

About N-[3-[benzyl(methyl)amino]propyl]benzamide

N-[3-[benzyl(methyl)amino]propyl]benzamide (PubChem CID 60701380) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]benzamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]benzamide
PubChem CID60701380
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]benzamide
SMILESCN(CCCNC(=O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H22N2O/c1-20(15-16-9-4-2-5-10-16)14-8-13-19-18(21)17-11-6-3-7-12-17/h2-7,9-12H,8,13-15H2,1H3,(H,19,21)
InChIKeyDDSXTSOVLFUCEC-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]benzamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]benzamide (CID 60701380) is N-[3-[benzyl(methyl)amino]propyl]benzamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]benzamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]benzamide is CN(CCCNC(=O)c1ccccc1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]benzamide?
The InChIKey is DDSXTSOVLFUCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-20(15-16-9-4-2-5-10-16)14-8-13-19-18(21)17-11-6-3-7-12-17/h2-7,9-12H,8,13-15H2,1H3,(H,19,21).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]benzamide?
N-[3-[benzyl(methyl)amino]propyl]benzamide has a molecular weight of 282.39 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]benzamide is sourced from PubChem (CID 60701380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).