ethyl N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate

C26H30N4O4 — CID 58693968

IUPACethyl N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCN4CCOCC4)cc3n2CC)c1
InChIInChI=1S/C26H30N4O4/c1-3-30-24-17-21(34-15-12-29-10-13-32-14-11-29)8-9-22(24)23(18-27)25(30)19-6-5-7-20(16-19)28-26(31)33-4-2/h5-9,16-17H,3-4,10-15H2,1-2H3,(H,28,31)
InChIKeyBPBMXYVVGDPUJW-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.48
Rot. Bonds8

About ethyl N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate

ethyl N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate (PubChem CID 58693968) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is ethyl N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate
PubChem CID58693968
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Nameethyl N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCN4CCOCC4)cc3n2CC)c1
InChIInChI=1S/C26H30N4O4/c1-3-30-24-17-21(34-15-12-29-10-13-32-14-11-29)8-9-22(24)23(18-27)25(30)19-6-5-7-20(16-19)28-26(31)33-4-2/h5-9,16-17H,3-4,10-15H2,1-2H3,(H,28,31)
InChIKeyBPBMXYVVGDPUJW-UHFFFAOYSA-N
XLogP4.48
TPSA88.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate (CID 58693968) is ethyl N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate is CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCN4CCOCC4)cc3n2CC)c1.
What is the InChIKey of ethyl N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate?
The InChIKey is BPBMXYVVGDPUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-3-30-24-17-21(34-15-12-29-10-13-32-14-11-29)8-9-22(24)23(18-27)25(30)19-6-5-7-20(16-19)28-26(31)33-4-2/h5-9,16-17H,3-4,10-15H2,1-2H3,(H,28,31).
What are the key properties of ethyl N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate?
ethyl N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 462.55 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 58693968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).