ethyl N-[1-cyclopropyl-2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]ethyl]carbamate

C25H29NO6 — CID 67465202

IUPACethyl N-[1-cyclopropyl-2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]ethyl]carbamate
SMILESCCOC(=O)NC(COc1c(-c2cccc3c2CCC3=O)ccc(OC)c1OC)C1CC1
InChIInChI=1S/C25H29NO6/c1-4-31-25(28)26-20(15-8-9-15)14-32-23-19(11-13-22(29-2)24(23)30-3)16-6-5-7-18-17(16)10-12-21(18)27/h5-7,11,13,15,20H,4,8-10,12,14H2,1-3H3,(H,26,28)
InChIKeyAFRJBTVJFMINSD-UHFFFAOYSA-N
MW439.51 g/mol
LogP4.40
Rot. Bonds9

About ethyl N-[1-cyclopropyl-2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]ethyl]carbamate

ethyl N-[1-cyclopropyl-2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]ethyl]carbamate (PubChem CID 67465202) has the molecular formula C25H29NO6 and a molecular weight of 439.51 g/mol. Its IUPAC name is ethyl N-[1-cyclopropyl-2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-cyclopropyl-2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]ethyl]carbamate
PubChem CID67465202
Molecular FormulaC25H29NO6
Molecular Weight439.51 g/mol
Exact Mass439.20
IUPAC Nameethyl N-[1-cyclopropyl-2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]ethyl]carbamate
SMILESCCOC(=O)NC(COc1c(-c2cccc3c2CCC3=O)ccc(OC)c1OC)C1CC1
InChIInChI=1S/C25H29NO6/c1-4-31-25(28)26-20(15-8-9-15)14-32-23-19(11-13-22(29-2)24(23)30-3)16-6-5-7-18-17(16)10-12-21(18)27/h5-7,11,13,15,20H,4,8-10,12,14H2,1-3H3,(H,26,28)
InChIKeyAFRJBTVJFMINSD-UHFFFAOYSA-N
XLogP4.40
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-cyclopropyl-2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]ethyl]carbamate?
The IUPAC name of ethyl N-[1-cyclopropyl-2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]ethyl]carbamate (CID 67465202) is ethyl N-[1-cyclopropyl-2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]ethyl]carbamate.
What is the SMILES notation for ethyl N-[1-cyclopropyl-2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]ethyl]carbamate?
The canonical SMILES for ethyl N-[1-cyclopropyl-2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]ethyl]carbamate is CCOC(=O)NC(COc1c(-c2cccc3c2CCC3=O)ccc(OC)c1OC)C1CC1.
What is the InChIKey of ethyl N-[1-cyclopropyl-2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]ethyl]carbamate?
The InChIKey is AFRJBTVJFMINSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO6/c1-4-31-25(28)26-20(15-8-9-15)14-32-23-19(11-13-22(29-2)24(23)30-3)16-6-5-7-18-17(16)10-12-21(18)27/h5-7,11,13,15,20H,4,8-10,12,14H2,1-3H3,(H,26,28).
What are the key properties of ethyl N-[1-cyclopropyl-2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]ethyl]carbamate?
ethyl N-[1-cyclopropyl-2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]ethyl]carbamate has a molecular weight of 439.51 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-cyclopropyl-2-[2,3-dimethoxy-6-(1-oxo-2,3-dihydroinden-4-yl)phenoxy]ethyl]carbamate is sourced from PubChem (CID 67465202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).