3-[[2-(7-ethyl-1H-indol-3-yl)ethylamino]methyl]benzamide

C20H23N3O — CID 119128960

IUPAC3-[[2-(7-ethyl-1H-indol-3-yl)ethylamino]methyl]benzamide
SMILESCCc1cccc2c(CCNCc3cccc(C(N)=O)c3)c[nH]c12
InChIInChI=1S/C20H23N3O/c1-2-15-6-4-8-18-17(13-23-19(15)18)9-10-22-12-14-5-3-7-16(11-14)20(21)24/h3-8,11,13,22-23H,2,9-10,12H2,1H3,(H2,21,24)
InChIKeyJBOQRXVVQWYYNM-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.16
Rot. Bonds7

About 3-[[2-(7-ethyl-1H-indol-3-yl)ethylamino]methyl]benzamide

3-[[2-(7-ethyl-1H-indol-3-yl)ethylamino]methyl]benzamide (PubChem CID 119128960) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-[[2-(7-ethyl-1H-indol-3-yl)ethylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[2-(7-ethyl-1H-indol-3-yl)ethylamino]methyl]benzamide
PubChem CID119128960
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name3-[[2-(7-ethyl-1H-indol-3-yl)ethylamino]methyl]benzamide
SMILESCCc1cccc2c(CCNCc3cccc(C(N)=O)c3)c[nH]c12
InChIInChI=1S/C20H23N3O/c1-2-15-6-4-8-18-17(13-23-19(15)18)9-10-22-12-14-5-3-7-16(11-14)20(21)24/h3-8,11,13,22-23H,2,9-10,12H2,1H3,(H2,21,24)
InChIKeyJBOQRXVVQWYYNM-UHFFFAOYSA-N
XLogP3.16
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(7-ethyl-1H-indol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 119128954
3-[[(2-ethylphenyl)methylamino]methyl]benzamide
CID 62391737
2-(7-ethyl-1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 119128941
4-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]benzamide;hydrochloride
CID 119321134
3-[[2-[ethyl(methyl)amino]ethylamino]methyl]benzamide
CID 55139292
3-[[2-(1H-imidazol-5-yl)ethylamino]methyl]benzamide
CID 65232486
3-[(propanoylamino)methyl]benzamide
CID 32636451
3-[[2-(4-methoxyphenyl)ethylamino]methyl]benzamide
CID 28574208
3-[[(2-hydroxy-3-methylphenyl)methylamino]methyl]benzamide
CID 115904619
3-[(3-carbamoylphenyl)methylamino]propanoic acid
CID 43466251
3-[[2-(tert-butylamino)ethylamino]methyl]benzamide
CID 107444865
3-amino-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119779424

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(7-ethyl-1H-indol-3-yl)ethylamino]methyl]benzamide?
The IUPAC name of 3-[[2-(7-ethyl-1H-indol-3-yl)ethylamino]methyl]benzamide (CID 119128960) is 3-[[2-(7-ethyl-1H-indol-3-yl)ethylamino]methyl]benzamide.
What is the SMILES notation for 3-[[2-(7-ethyl-1H-indol-3-yl)ethylamino]methyl]benzamide?
The canonical SMILES for 3-[[2-(7-ethyl-1H-indol-3-yl)ethylamino]methyl]benzamide is CCc1cccc2c(CCNCc3cccc(C(N)=O)c3)c[nH]c12.
What is the InChIKey of 3-[[2-(7-ethyl-1H-indol-3-yl)ethylamino]methyl]benzamide?
The InChIKey is JBOQRXVVQWYYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-2-15-6-4-8-18-17(13-23-19(15)18)9-10-22-12-14-5-3-7-16(11-14)20(21)24/h3-8,11,13,22-23H,2,9-10,12H2,1H3,(H2,21,24).
What are the key properties of 3-[[2-(7-ethyl-1H-indol-3-yl)ethylamino]methyl]benzamide?
3-[[2-(7-ethyl-1H-indol-3-yl)ethylamino]methyl]benzamide has a molecular weight of 321.42 g/mol, XLogP of 3.16, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(7-ethyl-1H-indol-3-yl)ethylamino]methyl]benzamide is sourced from PubChem (CID 119128960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).