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

C20H19N3O3 — CID 143185175

IUPACethyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2C)c1
InChIInChI=1S/C20H19N3O3/c1-4-26-20(24)22-14-7-5-6-13(10-14)19-17(12-21)16-9-8-15(25-3)11-18(16)23(19)2/h5-11H,4H2,1-3H3,(H,22,24)
InChIKeyIJMHUDKPHJZREA-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.29
Rot. Bonds4

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

ethyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate (PubChem CID 143185175) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is ethyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate
PubChem CID143185175
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Nameethyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2C)c1
InChIInChI=1S/C20H19N3O3/c1-4-26-20(24)22-14-7-5-6-13(10-14)19-17(12-21)16-9-8-15(25-3)11-18(16)23(19)2/h5-11H,4H2,1-3H3,(H,22,24)
InChIKeyIJMHUDKPHJZREA-UHFFFAOYSA-N
XLogP4.29
TPSA76.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate
CID 143183965
ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 59424974
ethyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694204
ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate
CID 58694496
propyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694159
ethyl N-[3-[3-cyano-6-(3-imidazol-1-ylpropoxy)-1-methylindol-2-yl]phenyl]carbamate
CID 143184893
2-methoxyethyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate
CID 58693880
ethyl N-[3-(3-cyano-1-ethyl-6-methylindol-2-yl)phenyl]carbamate
CID 58039098
phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694220
N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide
CID 58693933
ethyl N-[3-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-ethyl-N-methylpropan-1-amine
CID 143183970
ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
CID 58693960

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate?
The IUPAC name of ethyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate (CID 143185175) is ethyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate?
The canonical SMILES for ethyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate is CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2C)c1.
What is the InChIKey of ethyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate?
The InChIKey is IJMHUDKPHJZREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-4-26-20(24)22-14-7-5-6-13(10-14)19-17(12-21)16-9-8-15(25-3)11-18(16)23(19)2/h5-11H,4H2,1-3H3,(H,22,24).
What are the key properties of ethyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate?
ethyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate has a molecular weight of 349.39 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 143185175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).