2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate

C20H22N2O2 — CID 657635

IUPAC2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate
SMILESCN(C)CCOC(=O)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C20H22N2O2/c1-21(2)12-13-24-20(23)18-15-22(14-16-8-4-3-5-9-16)19-11-7-6-10-17(18)19/h3-11,15H,12-14H2,1-2H3
InChIKeyYKBOWZAAKMELLI-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.41
Rot. Bonds6

About 2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate

2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate (PubChem CID 657635) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate
PubChem CID657635
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate
SMILESCN(C)CCOC(=O)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C20H22N2O2/c1-21(2)12-13-24-20(23)18-15-22(14-16-8-4-3-5-9-16)19-11-7-6-10-17(18)19/h3-11,15H,12-14H2,1-2H3
InChIKeyYKBOWZAAKMELLI-UHFFFAOYSA-N
XLogP3.41
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3,4,5,6-pentafluorophenyl) 1-benzylindole-3-carboxylate
CID 16681599
1-benzyl-N-methyl-N-phenylindole-3-carboxamide
CID 26719094
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-benzylindole-3-carboxylate
CID 56810356
(1-methylpiperidin-2-yl)methyl 1-benzylindole-3-carboxylate
CID 19891962
methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate
CID 973154
[1-oxo-1-(prop-2-enylamino)propan-2-yl] 1-benzylindole-3-carboxylate
CID 55442176
N-(2-anilino-2-oxoethyl)-1-benzyl-N-methylindole-3-carboxamide
CID 46418266
ethyl (E)-4-(1-benzylindol-3-yl)-4-hydroxy-2-oxobut-3-enoate
CID 20846074
1-benzyl-N-propylindole-3-carboxamide
CID 24654500
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 1-benzylindole-3-carboxylate
CID 55442289
(1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 10735404
2-[(1-benzylindole-3-carbonyl)amino]propanediamide
CID 31404077

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate (CID 657635) is 2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate is CN(C)CCOC(=O)c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate?
The InChIKey is YKBOWZAAKMELLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-21(2)12-13-24-20(23)18-15-22(14-16-8-4-3-5-9-16)19-11-7-6-10-17(18)19/h3-11,15H,12-14H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate?
2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate is sourced from PubChem (CID 657635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).