N-[2-(ethylamino)ethyl]-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride

C19H25ClN2O2 — CID 119508535

IUPACN-[2-(ethylamino)ethyl]-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
SMILESCCNCCNC(=O)c1cccc(OCc2cccc(C)c2)c1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-3-20-10-11-21-19(22)17-8-5-9-18(13-17)23-14-16-7-4-6-15(2)12-16;/h4-9,12-13,20H,3,10-11,14H2,1-2H3,(H,21,22);1H
InChIKeyFRNITRBKHKKJEJ-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.34
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride

N-[2-(ethylamino)ethyl]-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride (PubChem CID 119508535) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
PubChem CID119508535
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC NameN-[2-(ethylamino)ethyl]-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
SMILESCCNCCNC(=O)c1cccc(OCc2cccc(C)c2)c1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-3-20-10-11-21-19(22)17-8-5-9-18(13-17)23-14-16-7-4-6-15(2)12-16;/h4-9,12-13,20H,3,10-11,14H2,1-2H3,(H,21,22);1H
InChIKeyFRNITRBKHKKJEJ-UHFFFAOYSA-N
XLogP3.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.34
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

N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 119506040
N-[2-(ethylamino)ethyl]-3-propoxybenzamide
CID 62919691
N-[2-(ethylamino)ethyl]-3-(2-methoxyethoxy)benzamide
CID 119504539
methyl 6-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]hexanoate
CID 46557017
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108
N-(3-amino-2-methylpropyl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119995953
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[(3-methylphenyl)methoxy]benzamide
CID 55526447
3-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]benzamide
CID 33097042
N-[2-(ethylamino)ethyl]-4-(phenoxymethyl)benzamide;hydrochloride
CID 119506574
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[(3-methylphenyl)methoxy]benzamide
CID 32619190
2-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
CID 119223350
N'-[3-[(3-methylphenyl)methoxy]benzoyl]pyridine-3-carbohydrazide
CID 35153545

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride (CID 119508535) is N-[2-(ethylamino)ethyl]-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride is CCNCCNC(=O)c1cccc(OCc2cccc(C)c2)c1.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride?
The InChIKey is FRNITRBKHKKJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.ClH/c1-3-20-10-11-21-19(22)17-8-5-9-18(13-17)23-14-16-7-4-6-15(2)12-16;/h4-9,12-13,20H,3,10-11,14H2,1-2H3,(H,21,22);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride?
N-[2-(ethylamino)ethyl]-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride is sourced from PubChem (CID 119508535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).