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

C24H23N3O4 — CID 143184279

IUPAC(2-methylideneoxolan-3-yl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
SMILESC=C1OCCC1OC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1
InChIInChI=1S/C24H23N3O4/c1-4-27-21-13-18(29-3)8-9-19(21)20(14-25)23(27)16-6-5-7-17(12-16)26-24(28)31-22-10-11-30-15(22)2/h5-9,12-13,22H,2,4,10-11H2,1,3H3,(H,26,28)
InChIKeyPYFSEQNFTNOAQL-UHFFFAOYSA-N
MW417.47 g/mol
LogP5.06
Rot. Bonds5

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

(2-methylideneoxolan-3-yl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (PubChem CID 143184279) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is (2-methylideneoxolan-3-yl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Name(2-methylideneoxolan-3-yl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
PubChem CID143184279
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name(2-methylideneoxolan-3-yl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
SMILESC=C1OCCC1OC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1
InChIInChI=1S/C24H23N3O4/c1-4-27-21-13-18(29-3)8-9-19(21)20(14-25)23(27)16-6-5-7-17(12-16)26-24(28)31-22-10-11-30-15(22)2/h5-9,12-13,22H,2,4,10-11H2,1,3H3,(H,26,28)
InChIKeyPYFSEQNFTNOAQL-UHFFFAOYSA-N
XLogP5.06
TPSA85.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.47
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 59424974
phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694220
propyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694159
N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide
CID 58693933
ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate
CID 58694496
ethyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694204
ethyl N-[3-(3-cyano-1-ethyl-6-methylindol-2-yl)phenyl]carbamate
CID 58039098
ethyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate
CID 143185175
ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
CID 58693960
propyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate
CID 143183965
2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694187
ethyl N-[3-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-ethyl-N-methylpropan-1-amine
CID 143183970

Frequently Asked Questions

What is the IUPAC name of (2-methylideneoxolan-3-yl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
The IUPAC name of (2-methylideneoxolan-3-yl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (CID 143184279) is (2-methylideneoxolan-3-yl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.
What is the SMILES notation for (2-methylideneoxolan-3-yl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
The canonical SMILES for (2-methylideneoxolan-3-yl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is C=C1OCCC1OC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.
What is the InChIKey of (2-methylideneoxolan-3-yl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
The InChIKey is PYFSEQNFTNOAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-4-27-21-13-18(29-3)8-9-19(21)20(14-25)23(27)16-6-5-7-17(12-16)26-24(28)31-22-10-11-30-15(22)2/h5-9,12-13,22H,2,4,10-11H2,1,3H3,(H,26,28).
What are the key properties of (2-methylideneoxolan-3-yl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
(2-methylideneoxolan-3-yl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate has a molecular weight of 417.47 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylideneoxolan-3-yl) N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 143184279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).