N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,2-diphenylacetamide

C25H23NO3 — CID 113091265

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,2-diphenylacetamide
SMILESO=C(NC1(c2ccc3c(c2)OCCO3)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23NO3/c27-24(23(18-7-3-1-4-8-18)19-9-5-2-6-10-19)26-25(13-14-25)20-11-12-21-22(17-20)29-16-15-28-21/h1-12,17,23H,13-16H2,(H,26,27)
InChIKeyGOHCSURGFCGJPJ-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.40
Rot. Bonds5

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,2-diphenylacetamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,2-diphenylacetamide (PubChem CID 113091265) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,2-diphenylacetamide
PubChem CID113091265
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,2-diphenylacetamide
SMILESO=C(NC1(c2ccc3c(c2)OCCO3)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23NO3/c27-24(23(18-7-3-1-4-8-18)19-9-5-2-6-10-19)26-25(13-14-25)20-11-12-21-22(17-20)29-16-15-28-21/h1-12,17,23H,13-16H2,(H,26,27)
InChIKeyGOHCSURGFCGJPJ-UHFFFAOYSA-N
XLogP4.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide
CID 113091248
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diphenylacetamide
CID 872269
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]propanamide
CID 113091236
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetamide
CID 146106549
3-bromo-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide
CID 113091256
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]pentanamide
CID 113091240
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-(4-fluorophenyl)urea
CID 113216021
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-(pyridin-2-ylmethyl)urea
CID 113215953
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-3-hydroxy-3-phenylbutanamide
CID 126793335
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-methylsulfanylbenzamide
CID 112806079
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-4-formylpiperazine-1-carboxamide
CID 113215936
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2,2-diphenylacetamide
CID 60538414

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,2-diphenylacetamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,2-diphenylacetamide (CID 113091265) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,2-diphenylacetamide is O=C(NC1(c2ccc3c(c2)OCCO3)CC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,2-diphenylacetamide?
The InChIKey is GOHCSURGFCGJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c27-24(23(18-7-3-1-4-8-18)19-9-5-2-6-10-19)26-25(13-14-25)20-11-12-21-22(17-20)29-16-15-28-21/h1-12,17,23H,13-16H2,(H,26,27).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,2-diphenylacetamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,2-diphenylacetamide has a molecular weight of 385.46 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,2-diphenylacetamide is sourced from PubChem (CID 113091265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).