N-[3-(methylamino)propyl]-2-(phenoxymethyl)benzamide

C18H22N2O2 — CID 119431897

IUPACN-[3-(methylamino)propyl]-2-(phenoxymethyl)benzamide
SMILESCNCCCNC(=O)c1ccccc1COc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-19-12-7-13-20-18(21)17-11-6-5-8-15(17)14-22-16-9-3-2-4-10-16/h2-6,8-11,19H,7,12-14H2,1H3,(H,20,21)
InChIKeyBZWHSKSDVGLDKN-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.60
Rot. Bonds8

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

N-[3-(methylamino)propyl]-2-(phenoxymethyl)benzamide (PubChem CID 119431897) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-2-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-2-(phenoxymethyl)benzamide
PubChem CID119431897
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[3-(methylamino)propyl]-2-(phenoxymethyl)benzamide
SMILESCNCCCNC(=O)c1ccccc1COc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-19-12-7-13-20-18(21)17-11-6-5-8-15(17)14-22-16-9-3-2-4-10-16/h2-6,8-11,19H,7,12-14H2,1H3,(H,20,21)
InChIKeyBZWHSKSDVGLDKN-UHFFFAOYSA-N
XLogP2.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(phenoxymethyl)-N-(3-phenylpropyl)benzamide
CID 32979372
N-[2-(2-fluorophenyl)ethyl]-2-(phenoxymethyl)benzamide
CID 24512894
N-[2-[di(propan-2-yl)amino]ethyl]-2-(phenoxymethyl)benzamide
CID 39467394
N-[2-(4-fluorophenyl)ethyl]-2-(phenoxymethyl)benzamide
CID 32979164
N,N-dimethyl-2-(phenoxymethyl)benzamide
CID 134022314
2-(phenoxymethyl)-N-prop-2-enylbenzamide
CID 9399802
3-[(2-bromophenyl)methoxy]-N-[3-(methylamino)propyl]benzamide
CID 119429629
N,N-diethyl-2-(phenoxymethyl)benzamide
CID 78777252
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-2-(phenoxymethyl)benzamide
CID 86938722
2-acetyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429539
2-(phenoxymethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 24512524
benzyl 2-[[2-(phenoxymethyl)benzoyl]amino]acetate
CID 32982202

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-2-(phenoxymethyl)benzamide?
The IUPAC name of N-[3-(methylamino)propyl]-2-(phenoxymethyl)benzamide (CID 119431897) is N-[3-(methylamino)propyl]-2-(phenoxymethyl)benzamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-2-(phenoxymethyl)benzamide?
The canonical SMILES for N-[3-(methylamino)propyl]-2-(phenoxymethyl)benzamide is CNCCCNC(=O)c1ccccc1COc1ccccc1.
What is the InChIKey of N-[3-(methylamino)propyl]-2-(phenoxymethyl)benzamide?
The InChIKey is BZWHSKSDVGLDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-19-12-7-13-20-18(21)17-11-6-5-8-15(17)14-22-16-9-3-2-4-10-16/h2-6,8-11,19H,7,12-14H2,1H3,(H,20,21).
What are the key properties of N-[3-(methylamino)propyl]-2-(phenoxymethyl)benzamide?
N-[3-(methylamino)propyl]-2-(phenoxymethyl)benzamide has a molecular weight of 298.39 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-2-(phenoxymethyl)benzamide is sourced from PubChem (CID 119431897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).