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

C24H25N3O3 — CID 58694204

IUPACethyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2C2CCCC2)c1
InChIInChI=1S/C24H25N3O3/c1-3-30-24(28)26-17-8-6-7-16(13-17)23-21(15-25)20-12-11-19(29-2)14-22(20)27(23)18-9-4-5-10-18/h6-8,11-14,18H,3-5,9-10H2,1-2H3,(H,26,28)
InChIKeyMPYHPNTYDDYLPK-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.87
Rot. Bonds5

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

ethyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate (PubChem CID 58694204) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is ethyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate
PubChem CID58694204
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Nameethyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2C2CCCC2)c1
InChIInChI=1S/C24H25N3O3/c1-3-30-24(28)26-17-8-6-7-16(13-17)23-21(15-25)20-12-11-19(29-2)14-22(20)27(23)18-9-4-5-10-18/h6-8,11-14,18H,3-5,9-10H2,1-2H3,(H,26,28)
InChIKeyMPYHPNTYDDYLPK-UHFFFAOYSA-N
XLogP5.87
TPSA76.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate
CID 143185175
ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 59424974
ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate
CID 58694496
propyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate
CID 143183965
propyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694159
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
methyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 59425022
(2-methylideneoxolan-3-yl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 143184279
[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamic acid
CID 59426144
cyclopentyl N-[4-[3-cyano-1-cyclobutyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 59425395

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate?
The IUPAC name of ethyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate (CID 58694204) is ethyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate?
The canonical SMILES for ethyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate is CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2C2CCCC2)c1.
What is the InChIKey of ethyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate?
The InChIKey is MPYHPNTYDDYLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-3-30-24(28)26-17-8-6-7-16(13-17)23-21(15-25)20-12-11-19(29-2)14-22(20)27(23)18-9-4-5-10-18/h6-8,11-14,18H,3-5,9-10H2,1-2H3,(H,26,28).
What are the key properties of ethyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate?
ethyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate has a molecular weight of 403.48 g/mol, XLogP of 5.87, 5 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-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 58694204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).