N-[[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methyl]cyclopropanecarboxamide

C16H19NO3 — CID 18394806

IUPACN-[[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methyl]cyclopropanecarboxamide
SMILESO=C(NC[C@@H]1C[C@H]1c1cccc2c1OCCO2)C1CC1
InChIInChI=1S/C16H19NO3/c18-16(10-4-5-10)17-9-11-8-13(11)12-2-1-3-14-15(12)20-7-6-19-14/h1-3,10-11,13H,4-9H2,(H,17,18)/t11-,13+/m0/s1
InChIKeyZVOULZUWPSEMMY-WCQYABFASA-N
MW273.33 g/mol
LogP2.09
Rot. Bonds4

About N-[[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methyl]cyclopropanecarboxamide

N-[[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methyl]cyclopropanecarboxamide (PubChem CID 18394806) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methyl]cyclopropanecarboxamide
PubChem CID18394806
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-[[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methyl]cyclopropanecarboxamide
SMILESO=C(NC[C@@H]1C[C@H]1c1cccc2c1OCCO2)C1CC1
InChIInChI=1S/C16H19NO3/c18-16(10-4-5-10)17-9-11-8-13(11)12-2-1-3-14-15(12)20-7-6-19-14/h1-3,10-11,13H,4-9H2,(H,17,18)/t11-,13+/m0/s1
InChIKeyZVOULZUWPSEMMY-WCQYABFASA-N
XLogP2.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methyl]cyclopropanecarboxamide (CID 18394806) is N-[[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methyl]cyclopropanecarboxamide is O=C(NC[C@@H]1C[C@H]1c1cccc2c1OCCO2)C1CC1.
What is the InChIKey of N-[[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methyl]cyclopropanecarboxamide?
The InChIKey is ZVOULZUWPSEMMY-WCQYABFASA-N. The full InChI is InChI=1S/C16H19NO3/c18-16(10-4-5-10)17-9-11-8-13(11)12-2-1-3-14-15(12)20-7-6-19-14/h1-3,10-11,13H,4-9H2,(H,17,18)/t11-,13+/m0/s1.
What are the key properties of N-[[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methyl]cyclopropanecarboxamide?
N-[[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methyl]cyclopropanecarboxamide has a molecular weight of 273.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 18394806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).