formamide;2-(methoxymethyl)pyrrolidine;6-nonyl-2,3-dihydro-1,4-benzodioxine

C24H42N2O4 — CID 143865898

IUPACformamide;2-(methoxymethyl)pyrrolidine;6-nonyl-2,3-dihydro-1,4-benzodioxine
SMILESCCCCCCCCCc1ccc2c(c1)OCCO2.COCC1CCCN1.NC=O
InChIInChI=1S/C17H26O2.C6H13NO.CH3NO/c1-2-3-4-5-6-7-8-9-15-10-11-16-17(14-15)19-13-12-18-16;1-8-5-6-3-2-4-7-6;2-1-3/h10-11,14H,2-9,12-13H2,1H3;6-7H,2-5H2,1H3;1H,(H2,2,3)
InChIKeyAVOPHEDBZIOUSJ-UHFFFAOYSA-N
MW422.61 g/mol
LogP4.24
Rot. Bonds10

About formamide;2-(methoxymethyl)pyrrolidine;6-nonyl-2,3-dihydro-1,4-benzodioxine

formamide;2-(methoxymethyl)pyrrolidine;6-nonyl-2,3-dihydro-1,4-benzodioxine (PubChem CID 143865898) has the molecular formula C24H42N2O4 and a molecular weight of 422.61 g/mol. Its IUPAC name is formamide;2-(methoxymethyl)pyrrolidine;6-nonyl-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Nameformamide;2-(methoxymethyl)pyrrolidine;6-nonyl-2,3-dihydro-1,4-benzodioxine
PubChem CID143865898
Molecular FormulaC24H42N2O4
Molecular Weight422.61 g/mol
Exact Mass422.31
IUPAC Nameformamide;2-(methoxymethyl)pyrrolidine;6-nonyl-2,3-dihydro-1,4-benzodioxine
SMILESCCCCCCCCCc1ccc2c(c1)OCCO2.COCC1CCCN1.NC=O
InChIInChI=1S/C17H26O2.C6H13NO.CH3NO/c1-2-3-4-5-6-7-8-9-15-10-11-16-17(14-15)19-13-12-18-16;1-8-5-6-3-2-4-7-6;2-1-3/h10-11,14H,2-9,12-13H2,1H3;6-7H,2-5H2,1H3;1H,(H2,2,3)
InChIKeyAVOPHEDBZIOUSJ-UHFFFAOYSA-N
XLogP4.24
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.61
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 102066946
2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine
CID 60869539
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)pentan-1-amine
CID 65300712
2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]azepane
CID 104703899
2-chloro-4-octylphenol;pyrrolidin-2-ylmethanol
CID 143734026
N-(2-butoxyethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 61483321
6,23-didodecyl-10,13,16,19-tetraoxa-2,3-diazatricyclo[18.4.0.04,9]tetracosa-1(20),2,4(9),5,7,21,23-heptaene
CID 102445384
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-ethylpiperidine
CID 114426180
2-(1,3-benzodioxol-5-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 115208449
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-ethylpentan-1-amine
CID 65300764
N-(4-pentylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61363717

Frequently Asked Questions

What is the IUPAC name of formamide;2-(methoxymethyl)pyrrolidine;6-nonyl-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of formamide;2-(methoxymethyl)pyrrolidine;6-nonyl-2,3-dihydro-1,4-benzodioxine (CID 143865898) is formamide;2-(methoxymethyl)pyrrolidine;6-nonyl-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for formamide;2-(methoxymethyl)pyrrolidine;6-nonyl-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for formamide;2-(methoxymethyl)pyrrolidine;6-nonyl-2,3-dihydro-1,4-benzodioxine is CCCCCCCCCc1ccc2c(c1)OCCO2.COCC1CCCN1.NC=O.
What is the InChIKey of formamide;2-(methoxymethyl)pyrrolidine;6-nonyl-2,3-dihydro-1,4-benzodioxine?
The InChIKey is AVOPHEDBZIOUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2.C6H13NO.CH3NO/c1-2-3-4-5-6-7-8-9-15-10-11-16-17(14-15)19-13-12-18-16;1-8-5-6-3-2-4-7-6;2-1-3/h10-11,14H,2-9,12-13H2,1H3;6-7H,2-5H2,1H3;1H,(H2,2,3).
What are the key properties of formamide;2-(methoxymethyl)pyrrolidine;6-nonyl-2,3-dihydro-1,4-benzodioxine?
formamide;2-(methoxymethyl)pyrrolidine;6-nonyl-2,3-dihydro-1,4-benzodioxine has a molecular weight of 422.61 g/mol, XLogP of 4.24, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;2-(methoxymethyl)pyrrolidine;6-nonyl-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 143865898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).