4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide

C19H24N2O2 — CID 119273569

IUPAC4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
SMILESCC(OCCCNC(=O)c1ccc(CN)cc1)c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-15(17-6-3-2-4-7-17)23-13-5-12-21-19(22)18-10-8-16(14-20)9-11-18/h2-4,6-11,15H,5,12-14,20H2,1H3,(H,21,22)
InChIKeyZEEDIPXHRJYECN-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.04
Rot. Bonds8

About 4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide

4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide (PubChem CID 119273569) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
PubChem CID119273569
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
SMILESCC(OCCCNC(=O)c1ccc(CN)cc1)c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-15(17-6-3-2-4-7-17)23-13-5-12-21-19(22)18-10-8-16(14-20)9-11-18/h2-4,6-11,15H,5,12-14,20H2,1H3,(H,21,22)
InChIKeyZEEDIPXHRJYECN-UHFFFAOYSA-N
XLogP3.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 42942710
4-(ethylsulfanylmethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 55898740
3,4-diethoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 46421326
4-(cyclopropanecarbonylamino)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 24658372
2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide
CID 55483787
2,3-dichloro-N-[3-(1-phenylethoxy)propyl]benzamide
CID 75866116
2-amino-3-phenyl-N-[3-(1-phenylethoxy)propyl]propanamide;hydrochloride
CID 119273566
2-methyl-1,3-dioxo-N-[3-(1-phenylethoxy)propyl]isoindole-5-carboxamide
CID 46536752
[4-[3-(1-phenylethoxy)propoxy]phenyl]methanamine
CID 43254276
5-chloro-N-[3-(1-phenylethoxy)propyl]thiophene-2-carboxamide
CID 46632667
4-(difluoromethoxy)-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide
CID 43048234
2-amino-2-(4-methylphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 120666814

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide (CID 119273569) is 4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide is CC(OCCCNC(=O)c1ccc(CN)cc1)c1ccccc1.
What is the InChIKey of 4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide?
The InChIKey is ZEEDIPXHRJYECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15(17-6-3-2-4-7-17)23-13-5-12-21-19(22)18-10-8-16(14-20)9-11-18/h2-4,6-11,15H,5,12-14,20H2,1H3,(H,21,22).
What are the key properties of 4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide?
4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide has a molecular weight of 312.41 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide is sourced from PubChem (CID 119273569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).