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

C16H21NO3 — CID 113091240

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]pentanamide
SMILESCCCCC(=O)NC1(c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C16H21NO3/c1-2-3-4-15(18)17-16(7-8-16)12-5-6-13-14(11-12)20-10-9-19-13/h5-6,11H,2-4,7-10H2,1H3,(H,17,18)
InChIKeyFDVLLYBDGKCOGN-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.75
Rot. Bonds5

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

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]pentanamide (PubChem CID 113091240) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]pentanamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]pentanamide
PubChem CID113091240
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]pentanamide
SMILESCCCCC(=O)NC1(c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C16H21NO3/c1-2-3-4-15(18)17-16(7-8-16)12-5-6-13-14(11-12)20-10-9-19-13/h5-6,11H,2-4,7-10H2,1H3,(H,17,18)
InChIKeyFDVLLYBDGKCOGN-UHFFFAOYSA-N
XLogP2.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.75
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]propanamide
CID 113091236
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-pentylurea
CID 113215989
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetamide
CID 146106549
N-[1-(3,4-dimethoxyphenyl)cyclopropyl]pentanamide
CID 110479476
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-4-pyridin-2-ylbutanamide
CID 126770794
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide
CID 113091248
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-3-hydroxy-3-phenylbutanamide
CID 126793335
3-bromo-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide
CID 113091256
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide
CID 30795800
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-(4-fluorophenyl)urea
CID 113216021
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,2-diphenylacetamide
CID 113091265
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-4-formylpiperazine-1-carboxamide
CID 113215936

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]pentanamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]pentanamide (CID 113091240) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]pentanamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]pentanamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]pentanamide is CCCCC(=O)NC1(c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]pentanamide?
The InChIKey is FDVLLYBDGKCOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-3-4-15(18)17-16(7-8-16)12-5-6-13-14(11-12)20-10-9-19-13/h5-6,11H,2-4,7-10H2,1H3,(H,17,18).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]pentanamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]pentanamide has a molecular weight of 275.35 g/mol, XLogP of 2.75, 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]pentanamide is sourced from PubChem (CID 113091240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).