N-[2-(dimethylamino)ethyl]-3-(indol-1-ylmethyl)benzamide

C20H23N3O — CID 23513989

IUPACN-[2-(dimethylamino)ethyl]-3-(indol-1-ylmethyl)benzamide
SMILESCN(C)CCNC(=O)c1cccc(Cn2ccc3ccccc32)c1
InChIInChI=1S/C20H23N3O/c1-22(2)13-11-21-20(24)18-8-5-6-16(14-18)15-23-12-10-17-7-3-4-9-19(17)23/h3-10,12,14H,11,13,15H2,1-2H3,(H,21,24)
InChIKeyZFIMLTUFPGQFHP-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.98
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-3-(indol-1-ylmethyl)benzamide

N-[2-(dimethylamino)ethyl]-3-(indol-1-ylmethyl)benzamide (PubChem CID 23513989) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(indol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(indol-1-ylmethyl)benzamide
PubChem CID23513989
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(indol-1-ylmethyl)benzamide
SMILESCN(C)CCNC(=O)c1cccc(Cn2ccc3ccccc32)c1
InChIInChI=1S/C20H23N3O/c1-22(2)13-11-21-20(24)18-8-5-6-16(14-18)15-23-12-10-17-7-3-4-9-19(17)23/h3-10,12,14H,11,13,15H2,1-2H3,(H,21,24)
InChIKeyZFIMLTUFPGQFHP-UHFFFAOYSA-N
XLogP2.98
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl(methyl)amino]-N-[2-(dimethylamino)ethyl]benzamide
CID 110355481
N-[2-(dimethylamino)ethyl]-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 46055599
3-ethoxy-N-(2-indol-1-ylethyl)benzamide
CID 108726430
3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 46055638
N-[2-(dimethylamino)ethyl]-3-(3-ethylphenyl)benzamide
CID 70827081
3-N,10-N-bis[2-(dimethylamino)ethyl]pyrido[1,2-a]indole-3,10-dicarboxamide
CID 66667040
N-[2-(dimethylamino)ethyl]-3-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide
CID 119041522
N-[2-(dimethylamino)ethyl]-3-[[(N'-methylcarbamimidoyl)amino]methyl]benzamide
CID 110935106
3-(chloromethyl)-N-[2-(N-methylanilino)ethyl]benzamide
CID 43347009
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride
CID 119867722
ethyl 8-[3-(indol-1-ylmethyl)phenyl]-8-oxooctanoate
CID 24724895
N-[2-(dimethylamino)ethyl]-3-methylsulfanylbenzamide
CID 67490104

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(indol-1-ylmethyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(indol-1-ylmethyl)benzamide (CID 23513989) is N-[2-(dimethylamino)ethyl]-3-(indol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(indol-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(indol-1-ylmethyl)benzamide is CN(C)CCNC(=O)c1cccc(Cn2ccc3ccccc32)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(indol-1-ylmethyl)benzamide?
The InChIKey is ZFIMLTUFPGQFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-22(2)13-11-21-20(24)18-8-5-6-16(14-18)15-23-12-10-17-7-3-4-9-19(17)23/h3-10,12,14H,11,13,15H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(indol-1-ylmethyl)benzamide?
N-[2-(dimethylamino)ethyl]-3-(indol-1-ylmethyl)benzamide has a molecular weight of 321.42 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(indol-1-ylmethyl)benzamide is sourced from PubChem (CID 23513989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).