phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate

C25H21N3O3 — CID 58694220

IUPACphenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
SMILESCCn1c(-c2cccc(NC(=O)Oc3ccccc3)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C25H21N3O3/c1-3-28-23-15-20(30-2)12-13-21(23)22(16-26)24(28)17-8-7-9-18(14-17)27-25(29)31-19-10-5-4-6-11-19/h4-15H,3H2,1-2H3,(H,27,29)
InChIKeyZFIFXMSNBQUYIC-UHFFFAOYSA-N
MW411.46 g/mol
LogP5.82
Rot. Bonds5

About phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate

phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (PubChem CID 58694220) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
PubChem CID58694220
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Namephenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
SMILESCCn1c(-c2cccc(NC(=O)Oc3ccccc3)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C25H21N3O3/c1-3-28-23-15-20(30-2)12-13-21(23)22(16-26)24(28)17-8-7-9-18(14-17)27-25(29)31-19-10-5-4-6-11-19/h4-15H,3H2,1-2H3,(H,27,29)
InChIKeyZFIFXMSNBQUYIC-UHFFFAOYSA-N
XLogP5.82
TPSA76.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.46
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
The IUPAC name of phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (CID 58694220) is phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.
What is the SMILES notation for phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
The canonical SMILES for phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is CCn1c(-c2cccc(NC(=O)Oc3ccccc3)c2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
The InChIKey is ZFIFXMSNBQUYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-3-28-23-15-20(30-2)12-13-21(23)22(16-26)24(28)17-8-7-9-18(14-17)27-25(29)31-19-10-5-4-6-11-19/h4-15H,3H2,1-2H3,(H,27,29).
What are the key properties of phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate has a molecular weight of 411.46 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 58694220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).