bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone

C27H34N4O3 — CID 166467355

IUPACbis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone
SMILESCOc1ccc2c(c1)c(CCN(C)C)cn2C(=O)n1cc(CCN(C)C)c2cc(OC)ccc21
InChIInChI=1S/C27H34N4O3/c1-28(2)13-11-19-17-30(25-9-7-21(33-5)15-23(19)25)27(32)31-18-20(12-14-29(3)4)24-16-22(34-6)8-10-26(24)31/h7-10,15-18H,11-14H2,1-6H3
InChIKeyPXDNVFWEXRBMOK-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.34
Rot. Bonds8

About bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone

bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone (PubChem CID 166467355) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone.

Molecular Properties

Compound Namebis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone
PubChem CID166467355
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC Namebis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone
SMILESCOc1ccc2c(c1)c(CCN(C)C)cn2C(=O)n1cc(CCN(C)C)c2cc(OC)ccc21
InChIInChI=1S/C27H34N4O3/c1-28(2)13-11-19-17-30(25-9-7-21(33-5)15-23(19)25)27(32)31-18-20(12-14-29(3)4)24-16-22(34-6)8-10-26(24)31/h7-10,15-18H,11-14H2,1-6H3
InChIKeyPXDNVFWEXRBMOK-UHFFFAOYSA-N
XLogP4.34
TPSA51.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone;formic acid
CID 175913972
2-amino-1-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-3-methylbutan-1-one
CID 166467388
[1-(dimethylamino)-2-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-2-oxoethyl] formate
CID 166467618
2-methoxyethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931038
(4Z,7Z,10Z,13Z,16Z,19Z)-1-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]docosa-4,7,10,13,16,19-hexaen-1-one
CID 166138565
N-[2-(azetidin-1-yl)ethyl]-3-[2-(dimethylamino)ethyl]-5-methoxyindole-1-carboxamide
CID 166467250
6-O-tert-butyl 1-O-[[3-[2-(dimethylamino)ethyl]-5-methoxyindole-1-carbonyl]oxymethyl] hexanedioate
CID 166467222
(5Z,8Z,11Z,14Z)-1-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]icosa-5,8,11,14-tetraen-1-one
CID 166138368
2-amino-N-[2-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-2-oxoethyl]-N-methylacetamide;toluene
CID 166467472
[(8Z,11Z)-heptadeca-8,11-dienyl] 3-[2-(dimethylamino)ethyl]-5-methoxyindole-1-carboxylate
CID 166138525
2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931011
methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168930845

Frequently Asked Questions

What is the IUPAC name of bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone?
The IUPAC name of bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone (CID 166467355) is bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone.
What is the SMILES notation for bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone?
The canonical SMILES for bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone is COc1ccc2c(c1)c(CCN(C)C)cn2C(=O)n1cc(CCN(C)C)c2cc(OC)ccc21.
What is the InChIKey of bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone?
The InChIKey is PXDNVFWEXRBMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-28(2)13-11-19-17-30(25-9-7-21(33-5)15-23(19)25)27(32)31-18-20(12-14-29(3)4)24-16-22(34-6)8-10-26(24)31/h7-10,15-18H,11-14H2,1-6H3.
What are the key properties of bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone?
bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone has a molecular weight of 462.59 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone is sourced from PubChem (CID 166467355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).