N-[[(3S)-3-methyloxolan-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C15H19NO4 — CID 95625325

IUPACN-[[(3S)-3-methyloxolan-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESC[C@@]1(CNC(=O)c2ccc3c(c2)OCCO3)CCOC1
InChIInChI=1S/C15H19NO4/c1-15(4-5-18-10-15)9-16-14(17)11-2-3-12-13(8-11)20-7-6-19-12/h2-3,8H,4-7,9-10H2,1H3,(H,16,17)/t15-/m0/s1
InChIKeyPHAATGCUFRGNJG-HNNXBMFYSA-N
MW277.32 g/mol
LogP1.61
Rot. Bonds3

About N-[[(3S)-3-methyloxolan-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-[[(3S)-3-methyloxolan-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 95625325) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[[(3S)-3-methyloxolan-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-3-methyloxolan-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID95625325
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC NameN-[[(3S)-3-methyloxolan-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESC[C@@]1(CNC(=O)c2ccc3c(c2)OCCO3)CCOC1
InChIInChI=1S/C15H19NO4/c1-15(4-5-18-10-15)9-16-14(17)11-2-3-12-13(8-11)20-7-6-19-12/h2-3,8H,4-7,9-10H2,1H3,(H,16,17)/t15-/m0/s1
InChIKeyPHAATGCUFRGNJG-HNNXBMFYSA-N
XLogP1.61
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 79037313
N-(1-adamantylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3972874
4-bromo-3-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103873712
N-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 65110138
N-(3,3-dimethylbutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 34713416
N-butyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 51180619
3-bromo-4-methoxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103742483
N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 718621
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(methylaminomethyl)cyclopropyl]methanone
CID 116921337
N-(3-aminobutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 63254083
N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 39466436
N-(3-bromo-2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 114313445

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3-methyloxolan-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-[[(3S)-3-methyloxolan-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 95625325) is N-[[(3S)-3-methyloxolan-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-[[(3S)-3-methyloxolan-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-[[(3S)-3-methyloxolan-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is C[C@@]1(CNC(=O)c2ccc3c(c2)OCCO3)CCOC1.
What is the InChIKey of N-[[(3S)-3-methyloxolan-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is PHAATGCUFRGNJG-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-15(4-5-18-10-15)9-16-14(17)11-2-3-12-13(8-11)20-7-6-19-12/h2-3,8H,4-7,9-10H2,1H3,(H,16,17)/t15-/m0/s1.
What are the key properties of N-[[(3S)-3-methyloxolan-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-[[(3S)-3-methyloxolan-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3-methyloxolan-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 95625325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).