3-[(dimethylamino)methyl]-N-[(4-ethylphenyl)methyl]benzamide

C19H24N2O — CID 119041971

IUPAC3-[(dimethylamino)methyl]-N-[(4-ethylphenyl)methyl]benzamide
SMILESCCc1ccc(CNC(=O)c2cccc(CN(C)C)c2)cc1
InChIInChI=1S/C19H24N2O/c1-4-15-8-10-16(11-9-15)13-20-19(22)18-7-5-6-17(12-18)14-21(2)3/h5-12H,4,13-14H2,1-3H3,(H,20,22)
InChIKeyUQXIPTJIYIXYIV-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.24
Rot. Bonds6

About 3-[(dimethylamino)methyl]-N-[(4-ethylphenyl)methyl]benzamide

3-[(dimethylamino)methyl]-N-[(4-ethylphenyl)methyl]benzamide (PubChem CID 119041971) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-[(4-ethylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-[(4-ethylphenyl)methyl]benzamide
PubChem CID119041971
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3-[(dimethylamino)methyl]-N-[(4-ethylphenyl)methyl]benzamide
SMILESCCc1ccc(CNC(=O)c2cccc(CN(C)C)c2)cc1
InChIInChI=1S/C19H24N2O/c1-4-15-8-10-16(11-9-15)13-20-19(22)18-7-5-6-17(12-18)14-21(2)3/h5-12H,4,13-14H2,1-3H3,(H,20,22)
InChIKeyUQXIPTJIYIXYIV-UHFFFAOYSA-N
XLogP3.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide
CID 119041522
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-methylsulfonylbenzamide
CID 26454671
3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]-N-propylbenzamide
CID 119041393
N-(3-aminopropyl)-3-[(dimethylamino)methyl]benzamide
CID 84613738
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
N-(2-amino-2-ethylbutyl)-3-[(dimethylamino)methyl]benzamide;dihydrochloride
CID 119641082
3,4-dichloro-N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]benzamide
CID 25054825
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide
CID 17478307
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide
CID 134039269
ethyl 3-[(dimethylamino)methyl]benzoate
CID 118181907
N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]-3,4,5-trimethoxybenzamide
CID 25054826
N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 60918762

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-[(4-ethylphenyl)methyl]benzamide?
The IUPAC name of 3-[(dimethylamino)methyl]-N-[(4-ethylphenyl)methyl]benzamide (CID 119041971) is 3-[(dimethylamino)methyl]-N-[(4-ethylphenyl)methyl]benzamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-[(4-ethylphenyl)methyl]benzamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-[(4-ethylphenyl)methyl]benzamide is CCc1ccc(CNC(=O)c2cccc(CN(C)C)c2)cc1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-[(4-ethylphenyl)methyl]benzamide?
The InChIKey is UQXIPTJIYIXYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-4-15-8-10-16(11-9-15)13-20-19(22)18-7-5-6-17(12-18)14-21(2)3/h5-12H,4,13-14H2,1-3H3,(H,20,22).
What are the key properties of 3-[(dimethylamino)methyl]-N-[(4-ethylphenyl)methyl]benzamide?
3-[(dimethylamino)methyl]-N-[(4-ethylphenyl)methyl]benzamide has a molecular weight of 296.41 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-[(4-ethylphenyl)methyl]benzamide is sourced from PubChem (CID 119041971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).