N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylcyclopentane-1-carboxamide

C21H23NO3 — CID 2836289

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylcyclopentane-1-carboxamide
SMILESO=C(NCC1COc2ccccc2O1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C21H23NO3/c23-20(21(12-6-7-13-21)16-8-2-1-3-9-16)22-14-17-15-24-18-10-4-5-11-19(18)25-17/h1-5,8-11,17H,6-7,12-15H2,(H,22,23)
InChIKeySYWKHTFVFXAXFB-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.45
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylcyclopentane-1-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylcyclopentane-1-carboxamide (PubChem CID 2836289) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylcyclopentane-1-carboxamide
PubChem CID2836289
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylcyclopentane-1-carboxamide
SMILESO=C(NCC1COc2ccccc2O1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C21H23NO3/c23-20(21(12-6-7-13-21)16-8-2-1-3-9-16)22-14-17-15-24-18-10-4-5-11-19(18)25-17/h1-5,8-11,17H,6-7,12-15H2,(H,22,23)
InChIKeySYWKHTFVFXAXFB-UHFFFAOYSA-N
XLogP3.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylcyclopentane-1-carboxamide (CID 2836289) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylcyclopentane-1-carboxamide is O=C(NCC1COc2ccccc2O1)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylcyclopentane-1-carboxamide?
The InChIKey is SYWKHTFVFXAXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c23-20(21(12-6-7-13-21)16-8-2-1-3-9-16)22-14-17-15-24-18-10-4-5-11-19(18)25-17/h1-5,8-11,17H,6-7,12-15H2,(H,22,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylcyclopentane-1-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylcyclopentane-1-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 2836289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).