2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-propan-2-yloxypropyl)pyrrolidine-1-carboxamide

C19H28N2O4 — CID 86914027

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-propan-2-yloxypropyl)pyrrolidine-1-carboxamide
SMILESCC(C)OCCCNC(=O)N1CCCC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H28N2O4/c1-14(2)23-10-4-8-20-19(22)21-9-3-5-16(21)15-6-7-17-18(13-15)25-12-11-24-17/h6-7,13-14,16H,3-5,8-12H2,1-2H3,(H,20,22)
InChIKeyKBIACWSYCMKFAX-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.12
Rot. Bonds6

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-propan-2-yloxypropyl)pyrrolidine-1-carboxamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-propan-2-yloxypropyl)pyrrolidine-1-carboxamide (PubChem CID 86914027) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-propan-2-yloxypropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-propan-2-yloxypropyl)pyrrolidine-1-carboxamide
PubChem CID86914027
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-propan-2-yloxypropyl)pyrrolidine-1-carboxamide
SMILESCC(C)OCCCNC(=O)N1CCCC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H28N2O4/c1-14(2)23-10-4-8-20-19(22)21-9-3-5-16(21)15-6-7-17-18(13-15)25-12-11-24-17/h6-7,13-14,16H,3-5,8-12H2,1-2H3,(H,20,22)
InChIKeyKBIACWSYCMKFAX-UHFFFAOYSA-N
XLogP3.12
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.12
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-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrolidine-1-carboxamide
CID 112831740
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[(3R)-oxolan-3-yl]methyl]pyrrolidine-1-carboxamide
CID 94124341
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide
CID 94016978
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone
CID 43033918
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 55684138
2-chloro-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone
CID 4961580
(2S)-2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide
CID 95312949
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119687443
(2R)-2-amino-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119270155
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 9398885
N-[[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 18130250
2-chloro-N-[3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-oxopropyl]benzamide
CID 40987730

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-propan-2-yloxypropyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-propan-2-yloxypropyl)pyrrolidine-1-carboxamide (CID 86914027) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-propan-2-yloxypropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-propan-2-yloxypropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-propan-2-yloxypropyl)pyrrolidine-1-carboxamide is CC(C)OCCCNC(=O)N1CCCC1c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-propan-2-yloxypropyl)pyrrolidine-1-carboxamide?
The InChIKey is KBIACWSYCMKFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-14(2)23-10-4-8-20-19(22)21-9-3-5-16(21)15-6-7-17-18(13-15)25-12-11-24-17/h6-7,13-14,16H,3-5,8-12H2,1-2H3,(H,20,22).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-propan-2-yloxypropyl)pyrrolidine-1-carboxamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-propan-2-yloxypropyl)pyrrolidine-1-carboxamide has a molecular weight of 348.44 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-propan-2-yloxypropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 86914027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).