(1-butyl-6-methoxy-2-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone

C24H29NO5 — CID 45271275

IUPAC(1-butyl-6-methoxy-2-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCCCCn1c(C)c(C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccc(OC)cc21
InChIInChI=1S/C24H29NO5/c1-7-8-11-25-15(2)22(18-10-9-17(27-3)14-19(18)25)23(26)16-12-20(28-4)24(30-6)21(13-16)29-5/h9-10,12-14H,7-8,11H2,1-6H3
InChIKeyXQXFEKFXQGOYPI-UHFFFAOYSA-N
MW411.50 g/mol
LogP5.02
Rot. Bonds9

About (1-butyl-6-methoxy-2-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone

(1-butyl-6-methoxy-2-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 45271275) has the molecular formula C24H29NO5 and a molecular weight of 411.50 g/mol. Its IUPAC name is (1-butyl-6-methoxy-2-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(1-butyl-6-methoxy-2-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID45271275
Molecular FormulaC24H29NO5
Molecular Weight411.50 g/mol
Exact Mass411.20
IUPAC Name(1-butyl-6-methoxy-2-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCCCCn1c(C)c(C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccc(OC)cc21
InChIInChI=1S/C24H29NO5/c1-7-8-11-25-15(2)22(18-10-9-17(27-3)14-19(18)25)23(26)16-12-20(28-4)24(30-6)21(13-16)29-5/h9-10,12-14H,7-8,11H2,1-6H3
InChIKeyXQXFEKFXQGOYPI-UHFFFAOYSA-N
XLogP5.02
TPSA58.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.50
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-butyl-6-methoxy-2-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (1-butyl-6-methoxy-2-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 45271275) is (1-butyl-6-methoxy-2-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (1-butyl-6-methoxy-2-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (1-butyl-6-methoxy-2-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is CCCCn1c(C)c(C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccc(OC)cc21.
What is the InChIKey of (1-butyl-6-methoxy-2-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is XQXFEKFXQGOYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO5/c1-7-8-11-25-15(2)22(18-10-9-17(27-3)14-19(18)25)23(26)16-12-20(28-4)24(30-6)21(13-16)29-5/h9-10,12-14H,7-8,11H2,1-6H3.
What are the key properties of (1-butyl-6-methoxy-2-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(1-butyl-6-methoxy-2-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 411.50 g/mol, XLogP of 5.02, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-6-methoxy-2-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 45271275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).