N-(1,3-benzodioxol-5-yl)nonanamide

C16H23NO3 — CID 5213416

IUPACN-(1,3-benzodioxol-5-yl)nonanamide
SMILESCCCCCCCCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H23NO3/c1-2-3-4-5-6-7-8-16(18)17-13-9-10-14-15(11-13)20-12-19-14/h9-11H,2-8,12H2,1H3,(H,17,18)
InChIKeyDNWFSULQZYBBPS-UHFFFAOYSA-N
MW277.36 g/mol
LogP4.10
Rot. Bonds8

About N-(1,3-benzodioxol-5-yl)nonanamide

N-(1,3-benzodioxol-5-yl)nonanamide (PubChem CID 5213416) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)nonanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)nonanamide
PubChem CID5213416
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-(1,3-benzodioxol-5-yl)nonanamide
SMILESCCCCCCCCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H23NO3/c1-2-3-4-5-6-7-8-16(18)17-13-9-10-14-15(11-13)20-12-19-14/h9-11H,2-8,12H2,1H3,(H,17,18)
InChIKeyDNWFSULQZYBBPS-UHFFFAOYSA-N
XLogP4.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-(dodecanoylamino)urea
CID 17268294
N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)decanamide
CID 100923504
N-(1,3-benzodioxol-5-yl)-3-(pentylamino)propanamide
CID 109032303
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pentanamide
CID 110370595
3-[acetyl(pentyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide
CID 113123152
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide
CID 30795800
3-[acetyl(butyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide
CID 113115878
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
1-(1,3-benzodioxol-5-yl)-3-hexylurea
CID 4107112
N-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide
CID 110370646
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(heptanoylamino)benzamide
CID 45109635
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pentylamino)propanamide
CID 109032304

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)nonanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)nonanamide (CID 5213416) is N-(1,3-benzodioxol-5-yl)nonanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)nonanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)nonanamide is CCCCCCCCC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)nonanamide?
The InChIKey is DNWFSULQZYBBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-3-4-5-6-7-8-16(18)17-13-9-10-14-15(11-13)20-12-19-14/h9-11H,2-8,12H2,1H3,(H,17,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)nonanamide?
N-(1,3-benzodioxol-5-yl)nonanamide has a molecular weight of 277.36 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)nonanamide is sourced from PubChem (CID 5213416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).