4-(acetamidomethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide

C19H23N3O2 — CID 86931986

IUPAC4-(acetamidomethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2cccc(CN(C)C)c2)cc1
InChIInChI=1S/C19H23N3O2/c1-14(23)20-12-15-7-9-17(10-8-15)19(24)21-18-6-4-5-16(11-18)13-22(2)3/h4-11H,12-13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyYCTDOTWTJRJHSS-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.64
Rot. Bonds6

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

4-(acetamidomethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide (PubChem CID 86931986) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide
PubChem CID86931986
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-(acetamidomethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2cccc(CN(C)C)c2)cc1
InChIInChI=1S/C19H23N3O2/c1-14(23)20-12-15-7-9-17(10-8-15)19(24)21-18-6-4-5-16(11-18)13-22(2)3/h4-11H,12-13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyYCTDOTWTJRJHSS-UHFFFAOYSA-N
XLogP2.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(acetamidomethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoic acid
CID 54173782
4-(acetamidomethyl)-N-(3-fluorophenyl)benzamide
CID 18194975
methyl 4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoate
CID 54326665
3-[[4-(acetamidomethyl)benzoyl]amino]benzamide
CID 78807046
4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide
CID 109046750
N-[3-[(dimethylamino)methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 86931987
3-(chloromethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 43697953
4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)benzamide
CID 29352763
4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 18194972
N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide
CID 60535740
N-[3-[(dimethylamino)methyl]phenyl]-5-hydroxypyridine-3-carboxamide
CID 63860097
3-bromo-N-[3-[(dimethylamino)methyl]phenyl]-5-methylbenzamide
CID 104852189

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide (CID 86931986) is 4-(acetamidomethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide is CC(=O)NCc1ccc(C(=O)Nc2cccc(CN(C)C)c2)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide?
The InChIKey is YCTDOTWTJRJHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14(23)20-12-15-7-9-17(10-8-15)19(24)21-18-6-4-5-16(11-18)13-22(2)3/h4-11H,12-13H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 4-(acetamidomethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide?
4-(acetamidomethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide has a molecular weight of 325.41 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide is sourced from PubChem (CID 86931986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).