N-[2-(dimethylamino)-1-phenylethyl]-N-methylbenzamide

C18H22N2O — CID 91054783

IUPACN-[2-(dimethylamino)-1-phenylethyl]-N-methylbenzamide
SMILESCN(C)CC(c1ccccc1)N(C)C(=O)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-19(2)14-17(15-10-6-4-7-11-15)20(3)18(21)16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3
InChIKeyDUCRDRBDOZXKBP-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.06
Rot. Bonds5

About N-[2-(dimethylamino)-1-phenylethyl]-N-methylbenzamide

N-[2-(dimethylamino)-1-phenylethyl]-N-methylbenzamide (PubChem CID 91054783) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)-1-phenylethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-1-phenylethyl]-N-methylbenzamide
PubChem CID91054783
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[2-(dimethylamino)-1-phenylethyl]-N-methylbenzamide
SMILESCN(C)CC(c1ccccc1)N(C)C(=O)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-19(2)14-17(15-10-6-4-7-11-15)20(3)18(21)16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3
InChIKeyDUCRDRBDOZXKBP-UHFFFAOYSA-N
XLogP3.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine
CID 134927015
N-[hydroxy(phenyl)methyl]-N-methylbenzamide
CID 134892565
(3S)-3-[benzoyl(methyl)amino]butanoic acid
CID 98014257
N-[2-(dimethylamino)-1-phenylethyl]-3-ethyl-N-methyl-1H-indole-2-carboxamide
CID 74240091
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-N-methyl-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 97133707
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide
CID 158962259
N-[2-(dimethylamino)-1-phenylethyl]-N,8-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 166293123
CID 19990303
CID 19990303
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
N-methyl-N-(1-oxo-1-phenylpropan-2-yl)benzamide
CID 11119051
N-[(dimethylamino)methyl]-N-methylbenzamide
CID 12719368
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60737715

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-1-phenylethyl]-N-methylbenzamide?
The IUPAC name of N-[2-(dimethylamino)-1-phenylethyl]-N-methylbenzamide (CID 91054783) is N-[2-(dimethylamino)-1-phenylethyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-1-phenylethyl]-N-methylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)-1-phenylethyl]-N-methylbenzamide is CN(C)CC(c1ccccc1)N(C)C(=O)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-1-phenylethyl]-N-methylbenzamide?
The InChIKey is DUCRDRBDOZXKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-19(2)14-17(15-10-6-4-7-11-15)20(3)18(21)16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-1-phenylethyl]-N-methylbenzamide?
N-[2-(dimethylamino)-1-phenylethyl]-N-methylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-1-phenylethyl]-N-methylbenzamide is sourced from PubChem (CID 91054783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).