2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyclohexyloxypropyl)acetamide

C19H26ClNO4 — CID 31950779

IUPAC2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyclohexyloxypropyl)acetamide
SMILESO=C(Cc1cc(Cl)c2c(c1)OCCO2)NCCCOC1CCCCC1
InChIInChI=1S/C19H26ClNO4/c20-16-11-14(12-17-19(16)25-10-9-24-17)13-18(22)21-7-4-8-23-15-5-2-1-3-6-15/h11-12,15H,1-10,13H2,(H,21,22)
InChIKeyRSJTVNZFHYYCIE-UHFFFAOYSA-N
MW367.87 g/mol
LogP3.51
Rot. Bonds7

About 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyclohexyloxypropyl)acetamide

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyclohexyloxypropyl)acetamide (PubChem CID 31950779) has the molecular formula C19H26ClNO4 and a molecular weight of 367.87 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyclohexyloxypropyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyclohexyloxypropyl)acetamide
PubChem CID31950779
Molecular FormulaC19H26ClNO4
Molecular Weight367.87 g/mol
Exact Mass367.16
IUPAC Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyclohexyloxypropyl)acetamide
SMILESO=C(Cc1cc(Cl)c2c(c1)OCCO2)NCCCOC1CCCCC1
InChIInChI=1S/C19H26ClNO4/c20-16-11-14(12-17-19(16)25-10-9-24-17)13-18(22)21-7-4-8-23-15-5-2-1-3-6-15/h11-12,15H,1-10,13H2,(H,21,22)
InChIKeyRSJTVNZFHYYCIE-UHFFFAOYSA-N
XLogP3.51
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.87
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylpentyl)acetamide
CID 32628858
N-(2-acetamidoethyl)-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 31947484
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 35418335
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-morpholin-4-ylbutyl)acetamide
CID 55742143
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(ethylamino)ethyl]acetamide
CID 119506485
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-cyclopentylacetamide
CID 24630297
N-(3-cyclopentyloxypropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 49002568
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-cyclopentyloxyethanamine
CID 63825313
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-cyclopropylacetamide
CID 27005607
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[3-(4-fluorophenyl)sulfanylpropyl]acetamide
CID 55450580
2-(3-aminophenyl)-N-(3-cyclohexyloxypropyl)acetamide
CID 65349877
2-(4-chloro-2-fluorophenyl)-N-(3-cyclopentyloxypropyl)acetamide
CID 100564682

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyclohexyloxypropyl)acetamide?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyclohexyloxypropyl)acetamide (CID 31950779) is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyclohexyloxypropyl)acetamide.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyclohexyloxypropyl)acetamide?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyclohexyloxypropyl)acetamide is O=C(Cc1cc(Cl)c2c(c1)OCCO2)NCCCOC1CCCCC1.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyclohexyloxypropyl)acetamide?
The InChIKey is RSJTVNZFHYYCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClNO4/c20-16-11-14(12-17-19(16)25-10-9-24-17)13-18(22)21-7-4-8-23-15-5-2-1-3-6-15/h11-12,15H,1-10,13H2,(H,21,22).
What are the key properties of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyclohexyloxypropyl)acetamide?
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyclohexyloxypropyl)acetamide has a molecular weight of 367.87 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(3-cyclohexyloxypropyl)acetamide is sourced from PubChem (CID 31950779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).