4-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]benzamide;hydrochloride

C20H24ClN3O — CID 119321134

IUPAC4-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]benzamide;hydrochloride
SMILESCCc1cccc2c(CCNC(=O)c3ccc(CN)cc3)c[nH]c12.Cl
InChIInChI=1S/C20H23N3O.ClH/c1-2-15-4-3-5-18-17(13-23-19(15)18)10-11-22-20(24)16-8-6-14(12-21)7-9-16;/h3-9,13,23H,2,10-12,21H2,1H3,(H,22,24);1H
InChIKeySTAAMXFTHNWMQX-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.58
Rot. Bonds6

About 4-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]benzamide;hydrochloride

4-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]benzamide;hydrochloride (PubChem CID 119321134) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]benzamide;hydrochloride
PubChem CID119321134
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name4-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]benzamide;hydrochloride
SMILESCCc1cccc2c(CCNC(=O)c3ccc(CN)cc3)c[nH]c12.Cl
InChIInChI=1S/C20H23N3O.ClH/c1-2-15-4-3-5-18-17(13-23-19(15)18)10-11-22-20(24)16-8-6-14(12-21)7-9-16;/h3-9,13,23H,2,10-12,21H2,1H3,(H,22,24);1H
InChIKeySTAAMXFTHNWMQX-UHFFFAOYSA-N
XLogP3.58
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 119779445
4-(aminomethyl)-N-[2-(2-ethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119317364
3-amino-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119779424
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-4-(methylamino)butanamide
CID 119779419
3-[[2-(7-ethyl-1H-indol-3-yl)ethylamino]methyl]benzamide
CID 119128960
(2S,5R)-5-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 120792678
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[2-(7-fluoro-1H-indol-3-yl)ethyl]-4-pyridin-4-ylbenzamide
CID 25142685
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-(2-methylphenyl)pyrazole-3-carboxamide
CID 166376122
2-ethyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-4-carboxamide
CID 74240615
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 56787168
5-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]furan-2-carboxylic acid
CID 167925600

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]benzamide;hydrochloride (CID 119321134) is 4-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]benzamide;hydrochloride is CCc1cccc2c(CCNC(=O)c3ccc(CN)cc3)c[nH]c12.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]benzamide;hydrochloride?
The InChIKey is STAAMXFTHNWMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O.ClH/c1-2-15-4-3-5-18-17(13-23-19(15)18)10-11-22-20(24)16-8-6-14(12-21)7-9-16;/h3-9,13,23H,2,10-12,21H2,1H3,(H,22,24);1H.
What are the key properties of 4-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]benzamide;hydrochloride?
4-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]benzamide;hydrochloride has a molecular weight of 357.89 g/mol, XLogP of 3.58, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119321134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).