2-amino-N-[[2-(propoxymethyl)phenyl]methyl]benzamide;hydrochloride

C18H23ClN2O2 — CID 119944739

IUPAC2-amino-N-[[2-(propoxymethyl)phenyl]methyl]benzamide;hydrochloride
SMILESCCCOCc1ccccc1CNC(=O)c1ccccc1N.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-2-11-22-13-15-8-4-3-7-14(15)12-20-18(21)16-9-5-6-10-17(16)19;/h3-10H,2,11-13,19H2,1H3,(H,20,21);1H
InChIKeyNMPLRZRRCIOVGI-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.55
Rot. Bonds7

About 2-amino-N-[[2-(propoxymethyl)phenyl]methyl]benzamide;hydrochloride

2-amino-N-[[2-(propoxymethyl)phenyl]methyl]benzamide;hydrochloride (PubChem CID 119944739) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 2-amino-N-[[2-(propoxymethyl)phenyl]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[2-(propoxymethyl)phenyl]methyl]benzamide;hydrochloride
PubChem CID119944739
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name2-amino-N-[[2-(propoxymethyl)phenyl]methyl]benzamide;hydrochloride
SMILESCCCOCc1ccccc1CNC(=O)c1ccccc1N.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-2-11-22-13-15-8-4-3-7-14(15)12-20-18(21)16-9-5-6-10-17(16)19;/h3-10H,2,11-13,19H2,1H3,(H,20,21);1H
InChIKeyNMPLRZRRCIOVGI-UHFFFAOYSA-N
XLogP3.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.55
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-(2-aminophenyl)-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120609340
2-propan-2-yloxy-N-[[2-(propoxymethyl)phenyl]methyl]benzamide
CID 86893973
3-(2-aminophenyl)-N-[[2-(propoxymethyl)phenyl]methyl]propanamide
CID 120609341
N-[[2-(propoxymethyl)phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 87020647
2-amino-3-methoxy-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120986491
(2S)-2-amino-3,3-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]butanamide
CID 119734224
2-amino-N-[(2-ethoxyphenyl)methyl]benzamide
CID 134085720
N-[[2-(propoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87006475
2-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide;dihydrochloride
CID 119946480
1-(3-methoxypropyl)-3-[[2-(propoxymethyl)phenyl]methyl]urea
CID 86999004
4-amino-N-[[2-(propoxymethyl)phenyl]methyl]pentanamide
CID 120560690
2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide
CID 119946527

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-(propoxymethyl)phenyl]methyl]benzamide;hydrochloride?
The IUPAC name of 2-amino-N-[[2-(propoxymethyl)phenyl]methyl]benzamide;hydrochloride (CID 119944739) is 2-amino-N-[[2-(propoxymethyl)phenyl]methyl]benzamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[2-(propoxymethyl)phenyl]methyl]benzamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[2-(propoxymethyl)phenyl]methyl]benzamide;hydrochloride is CCCOCc1ccccc1CNC(=O)c1ccccc1N.Cl.
What is the InChIKey of 2-amino-N-[[2-(propoxymethyl)phenyl]methyl]benzamide;hydrochloride?
The InChIKey is NMPLRZRRCIOVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-2-11-22-13-15-8-4-3-7-14(15)12-20-18(21)16-9-5-6-10-17(16)19;/h3-10H,2,11-13,19H2,1H3,(H,20,21);1H.
What are the key properties of 2-amino-N-[[2-(propoxymethyl)phenyl]methyl]benzamide;hydrochloride?
2-amino-N-[[2-(propoxymethyl)phenyl]methyl]benzamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-(propoxymethyl)phenyl]methyl]benzamide;hydrochloride is sourced from PubChem (CID 119944739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).