(3S)-N-(dicyclopropylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C16H19NO3 — CID 30544549

IUPAC(3S)-N-(dicyclopropylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NC(C1CC1)C1CC1)[C@@H]1COc2ccccc2O1
InChIInChI=1S/C16H19NO3/c18-16(17-15(10-5-6-10)11-7-8-11)14-9-19-12-3-1-2-4-13(12)20-14/h1-4,10-11,14-15H,5-9H2,(H,17,18)/t14-/m0/s1
InChIKeyUXJVLMPMWWXXIW-AWEZNQCLSA-N
MW273.33 g/mol
LogP2.13
Rot. Bonds4

About (3S)-N-(dicyclopropylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

(3S)-N-(dicyclopropylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 30544549) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (3S)-N-(dicyclopropylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(dicyclopropylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID30544549
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(3S)-N-(dicyclopropylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NC(C1CC1)C1CC1)[C@@H]1COc2ccccc2O1
InChIInChI=1S/C16H19NO3/c18-16(17-15(10-5-6-10)11-7-8-11)14-9-19-12-3-1-2-4-13(12)20-14/h1-4,10-11,14-15H,5-9H2,(H,17,18)/t14-/m0/s1
InChIKeyUXJVLMPMWWXXIW-AWEZNQCLSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(dicyclopropylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 42940632
N-(2-amino-1-cyclopropylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride
CID 119616056
N-but-3-yn-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 114390057
(3S)-N-carbamoyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95354893
(3S)-N-[(2S)-4-hydroxybutan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 97019657
(3S)-N-[(2S)-pentan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 956466
N-(4-bromobutan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 83178665
N-(4-aminobutan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 62092392
N-(4-chlorobutan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 83180654
(3R)-N-cycloheptyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2176720
(3R)-N-cyclooctyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2397752
N-(1-bromo-3-methylbutan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 114316233

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(dicyclopropylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of (3S)-N-(dicyclopropylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 30544549) is (3S)-N-(dicyclopropylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for (3S)-N-(dicyclopropylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for (3S)-N-(dicyclopropylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(NC(C1CC1)C1CC1)[C@@H]1COc2ccccc2O1.
What is the InChIKey of (3S)-N-(dicyclopropylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is UXJVLMPMWWXXIW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19NO3/c18-16(17-15(10-5-6-10)11-7-8-11)14-9-19-12-3-1-2-4-13(12)20-14/h1-4,10-11,14-15H,5-9H2,(H,17,18)/t14-/m0/s1.
What are the key properties of (3S)-N-(dicyclopropylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
(3S)-N-(dicyclopropylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(dicyclopropylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 30544549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).