N-(2,6-dipyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C19H25N3O3 — CID 99086144

IUPACN-(2,6-dipyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1c(N2CCCC2)cccc1N1CCCC1)C1=COCCO1
InChIInChI=1S/C19H25N3O3/c23-19(17-14-24-12-13-25-17)20-18-15(21-8-1-2-9-21)6-5-7-16(18)22-10-3-4-11-22/h5-7,14H,1-4,8-13H2,(H,20,23)
InChIKeyOFAOWEVKLFURMA-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.71
Rot. Bonds4

About N-(2,6-dipyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(2,6-dipyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 99086144) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(2,6-dipyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dipyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID99086144
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-(2,6-dipyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1c(N2CCCC2)cccc1N1CCCC1)C1=COCCO1
InChIInChI=1S/C19H25N3O3/c23-19(17-14-24-12-13-25-17)20-18-15(21-8-1-2-9-21)6-5-7-16(18)22-10-3-4-11-22/h5-7,14H,1-4,8-13H2,(H,20,23)
InChIKeyOFAOWEVKLFURMA-UHFFFAOYSA-N
XLogP2.71
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)benzoic acid
CID 63113038
N-(5-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 16550996
N-(2,6-dipyrrolidin-1-ylphenyl)-3-pyrrolidin-1-ylbenzamide
CID 167747025
2-N-(2,6-dipyrrolidin-1-ylphenyl)thiophene-2,5-dicarboxamide
CID 91642582
(3S)-N-(2,6-dipyrrolidin-1-ylphenyl)oxane-3-carboxamide
CID 129377300
3-(2,3-dihydro-1,4-dioxine-5-carbonylamino)pyridine-2-carboxylic acid
CID 104739890
N-(2,6-dipyrrolidin-1-ylphenyl)-2-(oxolan-2-yl)acetamide
CID 56786552
N-(2,6-dipyrrolidin-1-ylphenyl)-2-[(2S)-oxolan-2-yl]acetamide
CID 95620224
N-[4-(4-bromophenyl)sulfanylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 8873718
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24686545
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 39952143
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 16854778

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dipyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(2,6-dipyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 99086144) is N-(2,6-dipyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(2,6-dipyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(2,6-dipyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(Nc1c(N2CCCC2)cccc1N1CCCC1)C1=COCCO1.
What is the InChIKey of N-(2,6-dipyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is OFAOWEVKLFURMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-19(17-14-24-12-13-25-17)20-18-15(21-8-1-2-9-21)6-5-7-16(18)22-10-3-4-11-22/h5-7,14H,1-4,8-13H2,(H,20,23).
What are the key properties of N-(2,6-dipyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(2,6-dipyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dipyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 99086144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).