N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide;hydrochloride

C18H23ClN2O — CID 173361765

IUPACN-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide;hydrochloride
SMILESCN(C)Cc1ccccc1CCNC(=O)c1ccccc1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-20(2)14-17-11-7-6-8-15(17)12-13-19-18(21)16-9-4-3-5-10-16;/h3-11H,12-14H2,1-2H3,(H,19,21);1H
InChIKeyKSUXJLJBPQKMCM-UHFFFAOYSA-N
MW318.85 g/mol
LogP3.14
Rot. Bonds6

About N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide;hydrochloride

N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide;hydrochloride (PubChem CID 173361765) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide;hydrochloride
PubChem CID173361765
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC NameN-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide;hydrochloride
SMILESCN(C)Cc1ccccc1CCNC(=O)c1ccccc1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-20(2)14-17-11-7-6-8-15(17)12-13-19-18(21)16-9-4-3-5-10-16;/h3-11H,12-14H2,1-2H3,(H,19,21);1H
InChIKeyKSUXJLJBPQKMCM-UHFFFAOYSA-N
XLogP3.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide
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N-[2-[2-[2-(dimethylamino)ethylsulfanyl]phenyl]ethyl]benzamide
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3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053145
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
CID 67474503
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
3-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 109054514
N-[2-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]ethyl]benzamide
CID 55589948
1-N-[3-(dimethylamino)propyl]-3-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053381
N-[2-(2-methylphenyl)ethyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 27164026
4-(acetamidomethyl)-N-[2-(2-methylphenyl)ethyl]benzamide
CID 18195087
N-[2-[acetyl(propan-2-yl)amino]ethyl]benzamide
CID 113051974

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide;hydrochloride?
The IUPAC name of N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide;hydrochloride (CID 173361765) is N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide;hydrochloride.
What is the SMILES notation for N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide;hydrochloride?
The canonical SMILES for N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide;hydrochloride is CN(C)Cc1ccccc1CCNC(=O)c1ccccc1.Cl.
What is the InChIKey of N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide;hydrochloride?
The InChIKey is KSUXJLJBPQKMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O.ClH/c1-20(2)14-17-11-7-6-8-15(17)12-13-19-18(21)16-9-4-3-5-10-16;/h3-11H,12-14H2,1-2H3,(H,19,21);1H.
What are the key properties of N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide;hydrochloride?
N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide;hydrochloride is sourced from PubChem (CID 173361765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).