N-[2-(ethylamino)ethyl]-4-(phenoxymethyl)benzamide;hydrochloride

C18H23ClN2O2 — CID 119506574

IUPACN-[2-(ethylamino)ethyl]-4-(phenoxymethyl)benzamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(COc2ccccc2)cc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-2-19-12-13-20-18(21)16-10-8-15(9-11-16)14-22-17-6-4-3-5-7-17;/h3-11,19H,2,12-14H2,1H3,(H,20,21);1H
InChIKeyDVHNQHJCFUVMIG-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.03
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-4-(phenoxymethyl)benzamide;hydrochloride

N-[2-(ethylamino)ethyl]-4-(phenoxymethyl)benzamide;hydrochloride (PubChem CID 119506574) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-4-(phenoxymethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-4-(phenoxymethyl)benzamide;hydrochloride
PubChem CID119506574
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC NameN-[2-(ethylamino)ethyl]-4-(phenoxymethyl)benzamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(COc2ccccc2)cc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-2-19-12-13-20-18(21)16-10-8-15(9-11-16)14-22-17-6-4-3-5-7-17;/h3-11,19H,2,12-14H2,1H3,(H,20,21);1H
InChIKeyDVHNQHJCFUVMIG-UHFFFAOYSA-N
XLogP3.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.03
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

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CID 4958389
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N-(2-aminoethyl)-4-phenylmethoxybenzamide
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N-[2-(ethylamino)ethyl]-4-(phenylsulfanylmethyl)benzamide
CID 119509159
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide
CID 26733446
N-pentan-3-yl-4-(phenoxymethyl)benzamide
CID 55345339
2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
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4-(phenoxymethyl)-N-(1-phenylethyl)benzamide
CID 112759831
N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide
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N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-4-(phenoxymethyl)benzamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-4-(phenoxymethyl)benzamide;hydrochloride (CID 119506574) is N-[2-(ethylamino)ethyl]-4-(phenoxymethyl)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-4-(phenoxymethyl)benzamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-4-(phenoxymethyl)benzamide;hydrochloride is CCNCCNC(=O)c1ccc(COc2ccccc2)cc1.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-4-(phenoxymethyl)benzamide;hydrochloride?
The InChIKey is DVHNQHJCFUVMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-2-19-12-13-20-18(21)16-10-8-15(9-11-16)14-22-17-6-4-3-5-7-17;/h3-11,19H,2,12-14H2,1H3,(H,20,21);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-4-(phenoxymethyl)benzamide;hydrochloride?
N-[2-(ethylamino)ethyl]-4-(phenoxymethyl)benzamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.03, 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]-4-(phenoxymethyl)benzamide;hydrochloride is sourced from PubChem (CID 119506574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).