4-(dimethylamino)-N-(4-methylbenzyl)benzamide

C17H20N2O — CID 669457

IUPAC4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
SMILESCC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)N(C)C
InChIInChI=1S/C17H20N2O/c1-13-4-6-14(7-5-13)12-18-17(20)15-8-10-16(11-9-15)19(2)3/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyHBNDJSBZQBSODN-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.70
Rot. Bonds4

About 4-(dimethylamino)-N-(4-methylbenzyl)benzamide

4-(dimethylamino)-N-(4-methylbenzyl)benzamide (PubChem CID 669457) has the molecular formula C17H20N2O and a molecular weight of 268.35 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(4-methylbenzyl)benzamide
PubChem CID669457
Molecular FormulaC17H20N2O
Molecular Weight268.35 g/mol
Exact Mass268.16
IUPAC Name4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
SMILESCC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)N(C)C
InChIInChI=1S/C17H20N2O/c1-13-4-6-14(7-5-13)12-18-17(20)15-8-10-16(11-9-15)19(2)3/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyHBNDJSBZQBSODN-UHFFFAOYSA-N
XLogP2.70
TPSA32.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity300

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(4-methylbenzyl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(4-methylbenzyl)benzamide (CID 669457) is 4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(4-methylbenzyl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(4-methylbenzyl)benzamide is CC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)N(C)C.
What is the InChIKey of 4-(dimethylamino)-N-(4-methylbenzyl)benzamide?
The InChIKey is HBNDJSBZQBSODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-4-6-14(7-5-13)12-18-17(20)15-8-10-16(11-9-15)19(2)3/h4-11H,12H2,1-3H3,(H,18,20).
What are the key properties of 4-(dimethylamino)-N-(4-methylbenzyl)benzamide?
4-(dimethylamino)-N-(4-methylbenzyl)benzamide has a molecular weight of 268.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(4-methylbenzyl)benzamide is sourced from PubChem (CID 669457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).