3-[[(4-cyanophenyl)methylamino]methyl]-N-[2-(dimethylamino)ethyl]benzamide

C20H24N4O — CID 119110720

IUPAC3-[[(4-cyanophenyl)methylamino]methyl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1cccc(CNCc2ccc(C#N)cc2)c1
InChIInChI=1S/C20H24N4O/c1-24(2)11-10-23-20(25)19-5-3-4-18(12-19)15-22-14-17-8-6-16(13-21)7-9-17/h3-9,12,22H,10-11,14-15H2,1-2H3,(H,23,25)
InChIKeyWELVJKJDQFLHRT-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.14
Rot. Bonds8

About 3-[[(4-cyanophenyl)methylamino]methyl]-N-[2-(dimethylamino)ethyl]benzamide

3-[[(4-cyanophenyl)methylamino]methyl]-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 119110720) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[[(4-cyanophenyl)methylamino]methyl]-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-[[(4-cyanophenyl)methylamino]methyl]-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID119110720
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3-[[(4-cyanophenyl)methylamino]methyl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1cccc(CNCc2ccc(C#N)cc2)c1
InChIInChI=1S/C20H24N4O/c1-24(2)11-10-23-20(25)19-5-3-4-18(12-19)15-22-14-17-8-6-16(13-21)7-9-17/h3-9,12,22H,10-11,14-15H2,1-2H3,(H,23,25)
InChIKeyWELVJKJDQFLHRT-UHFFFAOYSA-N
XLogP2.14
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide
CID 119041522
3-[[(4-cyanophenyl)methylamino]methyl]benzamide
CID 43664709
3-[[(4-cyanophenyl)carbamoylamino]methyl]-N-[4-[2-(dimethylamino)ethyl]phenyl]benzamide
CID 59190831
3-[[(4-cyanophenyl)carbamoylamino]methyl]-N-[4-[2-(dimethylamino)ethyl]phenyl]benzamide;molecular hydrogen
CID 143722601
N-[2-(dimethylamino)ethyl]-3-[[(N'-methylcarbamimidoyl)amino]methyl]benzamide
CID 110935106
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride
CID 119867722
4-[[[3-(propylcarbamoyl)phenyl]methylamino]methyl]benzoic acid
CID 122030411
3-[[2-(dimethylamino)ethylamino]methyl]benzonitrile;dihydrochloride
CID 47002374
N-[2-(dimethylamino)ethyl]-3-[[4-(methylamino)butanoylamino]methyl]benzamide;dihydrochloride
CID 119867704
3-amino-N-[(4-cyanophenyl)methyl]benzamide
CID 54937872
3-[(4-aminopentanoylamino)methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride
CID 120565109
N-[2-(dimethylamino)ethyl]-3-[[(3-propan-2-yloxyphenyl)methylcarbamoylamino]methyl]benzamide
CID 86884508

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-cyanophenyl)methylamino]methyl]-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 3-[[(4-cyanophenyl)methylamino]methyl]-N-[2-(dimethylamino)ethyl]benzamide (CID 119110720) is 3-[[(4-cyanophenyl)methylamino]methyl]-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 3-[[(4-cyanophenyl)methylamino]methyl]-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 3-[[(4-cyanophenyl)methylamino]methyl]-N-[2-(dimethylamino)ethyl]benzamide is CN(C)CCNC(=O)c1cccc(CNCc2ccc(C#N)cc2)c1.
What is the InChIKey of 3-[[(4-cyanophenyl)methylamino]methyl]-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is WELVJKJDQFLHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-24(2)11-10-23-20(25)19-5-3-4-18(12-19)15-22-14-17-8-6-16(13-21)7-9-17/h3-9,12,22H,10-11,14-15H2,1-2H3,(H,23,25).
What are the key properties of 3-[[(4-cyanophenyl)methylamino]methyl]-N-[2-(dimethylamino)ethyl]benzamide?
3-[[(4-cyanophenyl)methylamino]methyl]-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 336.44 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-cyanophenyl)methylamino]methyl]-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 119110720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).