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

C14H17NO4 — CID 60638238

IUPACN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxopentanamide
SMILESCC(=O)CCC(=O)Nc1ccc2c(c1)OCCCO2
InChIInChI=1S/C14H17NO4/c1-10(16)3-6-14(17)15-11-4-5-12-13(9-11)19-8-2-7-18-12/h4-5,9H,2-3,6-8H2,1H3,(H,15,17)
InChIKeyUTOSLOJNGLERQM-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.16
Rot. Bonds4

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

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxopentanamide (PubChem CID 60638238) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxopentanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxopentanamide
PubChem CID60638238
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxopentanamide
SMILESCC(=O)CCC(=O)Nc1ccc2c(c1)OCCCO2
InChIInChI=1S/C14H17NO4/c1-10(16)3-6-14(17)15-11-4-5-12-13(9-11)19-8-2-7-18-12/h4-5,9H,2-3,6-8H2,1H3,(H,15,17)
InChIKeyUTOSLOJNGLERQM-UHFFFAOYSA-N
XLogP2.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxobutanamide
CID 18072726
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide
CID 30795800
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-hydroxybutanamide
CID 79200438
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxobutanamide
CID 2885675
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyacetamide
CID 16769727
methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-oxopropanoate
CID 115174105
3-cyano-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 115173480
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-sulfanylidenebutanamide
CID 82122796
3-[acetyl(propyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113115082
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 26712354
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 60527071

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxopentanamide?
The IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxopentanamide (CID 60638238) is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxopentanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxopentanamide?
The canonical SMILES for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxopentanamide is CC(=O)CCC(=O)Nc1ccc2c(c1)OCCCO2.
What is the InChIKey of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxopentanamide?
The InChIKey is UTOSLOJNGLERQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-10(16)3-6-14(17)15-11-4-5-12-13(9-11)19-8-2-7-18-12/h4-5,9H,2-3,6-8H2,1H3,(H,15,17).
What are the key properties of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxopentanamide?
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxopentanamide has a molecular weight of 263.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxopentanamide is sourced from PubChem (CID 60638238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).