N,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide

C38H33N5O3 — CID 58039039

IUPACN,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide
SMILESCCn1c(-c2ccc(CC(=O)Nc3ccc(-c4c(C#N)c5ccc(OC)cc5n4CC)cc3)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C38H33N5O3/c1-5-42-34-20-28(45-3)15-17-30(34)32(22-39)37(42)25-9-7-24(8-10-25)19-36(44)41-27-13-11-26(12-14-27)38-33(23-40)31-18-16-29(46-4)21-35(31)43(38)6-2/h7-18,20-21H,5-6,19H2,1-4H3,(H,41,44)
InChIKeyLWIJQKHHYZMYOJ-UHFFFAOYSA-N
MW607.71 g/mol
LogP7.91
Rot. Bonds9

About N,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide

N,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide (PubChem CID 58039039) has the molecular formula C38H33N5O3 and a molecular weight of 607.71 g/mol. Its IUPAC name is N,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide
PubChem CID58039039
Molecular FormulaC38H33N5O3
Molecular Weight607.71 g/mol
Exact Mass607.26
IUPAC NameN,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide
SMILESCCn1c(-c2ccc(CC(=O)Nc3ccc(-c4c(C#N)c5ccc(OC)cc5n4CC)cc3)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C38H33N5O3/c1-5-42-34-20-28(45-3)15-17-30(34)32(22-39)37(42)25-9-7-24(8-10-25)19-36(44)41-27-13-11-26(12-14-27)38-33(23-40)31-18-16-29(46-4)21-35(31)43(38)6-2/h7-18,20-21H,5-6,19H2,1-4H3,(H,41,44)
InChIKeyLWIJQKHHYZMYOJ-UHFFFAOYSA-N
XLogP7.91
TPSA105.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.71
LogP ≤ 57.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide?
The IUPAC name of N,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide (CID 58039039) is N,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide.
What is the SMILES notation for N,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide?
The canonical SMILES for N,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide is CCn1c(-c2ccc(CC(=O)Nc3ccc(-c4c(C#N)c5ccc(OC)cc5n4CC)cc3)cc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of N,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide?
The InChIKey is LWIJQKHHYZMYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33N5O3/c1-5-42-34-20-28(45-3)15-17-30(34)32(22-39)37(42)25-9-7-24(8-10-25)19-36(44)41-27-13-11-26(12-14-27)38-33(23-40)31-18-16-29(46-4)21-35(31)43(38)6-2/h7-18,20-21H,5-6,19H2,1-4H3,(H,41,44).
What are the key properties of N,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide?
N,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide has a molecular weight of 607.71 g/mol, XLogP of 7.91, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide is sourced from PubChem (CID 58039039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).