N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide

C14H19NO3 — CID 30795800

IUPACN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide
SMILESCCCCC(=O)Nc1ccc2c(c1)OCCCO2
InChIInChI=1S/C14H19NO3/c1-2-3-5-14(16)15-11-6-7-12-13(10-11)18-9-4-8-17-12/h6-7,10H,2-5,8-9H2,1H3,(H,15,16)
InChIKeyJHDJBLZQZSYAJG-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.98
Rot. Bonds4

About N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide (PubChem CID 30795800) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide
PubChem CID30795800
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide
SMILESCCCCC(=O)Nc1ccc2c(c1)OCCCO2
InChIInChI=1S/C14H19NO3/c1-2-3-5-14(16)15-11-6-7-12-13(10-11)18-9-4-8-17-12/h6-7,10H,2-5,8-9H2,1H3,(H,15,16)
InChIKeyJHDJBLZQZSYAJG-UHFFFAOYSA-N
XLogP2.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-hydroxybutanamide
CID 79200438
N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)decanamide
CID 100923504
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxopentanamide
CID 60638238
N-(1,3-benzodioxol-5-yl)nonanamide
CID 5213416
2-(4-butylphenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 30790386
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pentylamino)propanamide
CID 109032304
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pentanamide
CID 110370595
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxobutanamide
CID 18072726
1-butyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)urea
CID 47103492
N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]hexanamide
CID 25469711
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyacetamide
CID 16769727

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide?
The IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide (CID 30795800) is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide?
The canonical SMILES for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide is CCCCC(=O)Nc1ccc2c(c1)OCCCO2.
What is the InChIKey of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide?
The InChIKey is JHDJBLZQZSYAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-3-5-14(16)15-11-6-7-12-13(10-11)18-9-4-8-17-12/h6-7,10H,2-5,8-9H2,1H3,(H,15,16).
What are the key properties of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide?
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide has a molecular weight of 249.31 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide is sourced from PubChem (CID 30795800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).