ethyl N-[4-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-2-yl)phenyl]carbamate

C21H23N3O3 — CID 70825752

IUPACethyl N-[4-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-2-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C2C(C#N)c3ccc(OC)cc3N2CC)cc1
InChIInChI=1S/C21H23N3O3/c1-4-24-19-12-16(26-3)10-11-17(19)18(13-22)20(24)14-6-8-15(9-7-14)23-21(25)27-5-2/h6-12,18,20H,4-5H2,1-3H3,(H,23,25)
InChIKeyONPVBYXNHWTXFA-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.45
Rot. Bonds5

About ethyl N-[4-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-2-yl)phenyl]carbamate

ethyl N-[4-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-2-yl)phenyl]carbamate (PubChem CID 70825752) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is ethyl N-[4-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-2-yl)phenyl]carbamate
PubChem CID70825752
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Nameethyl N-[4-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-2-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C2C(C#N)c3ccc(OC)cc3N2CC)cc1
InChIInChI=1S/C21H23N3O3/c1-4-24-19-12-16(26-3)10-11-17(19)18(13-22)20(24)14-6-8-15(9-7-14)23-21(25)27-5-2/h6-12,18,20H,4-5H2,1-3H3,(H,23,25)
InChIKeyONPVBYXNHWTXFA-UHFFFAOYSA-N
XLogP4.45
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-2-yl)phenyl]carbamate?
The IUPAC name of ethyl N-[4-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-2-yl)phenyl]carbamate (CID 70825752) is ethyl N-[4-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-2-yl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-2-yl)phenyl]carbamate?
The canonical SMILES for ethyl N-[4-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-2-yl)phenyl]carbamate is CCOC(=O)Nc1ccc(C2C(C#N)c3ccc(OC)cc3N2CC)cc1.
What is the InChIKey of ethyl N-[4-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-2-yl)phenyl]carbamate?
The InChIKey is ONPVBYXNHWTXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-4-24-19-12-16(26-3)10-11-17(19)18(13-22)20(24)14-6-8-15(9-7-14)23-21(25)27-5-2/h6-12,18,20H,4-5H2,1-3H3,(H,23,25).
What are the key properties of ethyl N-[4-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-2-yl)phenyl]carbamate?
ethyl N-[4-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-2-yl)phenyl]carbamate has a molecular weight of 365.43 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 70825752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).