N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(methylamino)oxolane-3-carboxamide

C15H20N2O4 — CID 66266825

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCC1COc2ccccc2O1
InChIInChI=1S/C15H20N2O4/c1-16-12-9-19-8-11(12)15(18)17-6-10-7-20-13-4-2-3-5-14(13)21-10/h2-5,10-12,16H,6-9H2,1H3,(H,17,18)
InChIKeyOOTWYGVSOYLCDS-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.18
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(methylamino)oxolane-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66266825) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(methylamino)oxolane-3-carboxamide
PubChem CID66266825
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCC1COc2ccccc2O1
InChIInChI=1S/C15H20N2O4/c1-16-12-9-19-8-11(12)15(18)17-6-10-7-20-13-4-2-3-5-14(13)21-10/h2-5,10-12,16H,6-9H2,1H3,(H,17,18)
InChIKeyOOTWYGVSOYLCDS-UHFFFAOYSA-N
XLogP0.18
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,3R)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 124769734
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(methylamino)acetamide
CID 60686684
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 7334544
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-9H-fluorene-9-carboxamide
CID 2457171
(2S)-2-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 51979757
3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 1251106
N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-prop-2-enyloxamide
CID 108526464
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N'-propan-2-yloxamide
CID 34566020
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(2-methylcyclohexyl)oxamide
CID 108525087
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylurea
CID 4738249
N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-N'-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxamide
CID 7241999
3-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propanamide;hydrochloride
CID 119266203

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(methylamino)oxolane-3-carboxamide (CID 66266825) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)NCC1COc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is OOTWYGVSOYLCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-16-12-9-19-8-11(12)15(18)17-6-10-7-20-13-4-2-3-5-14(13)21-10/h2-5,10-12,16H,6-9H2,1H3,(H,17,18).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(methylamino)oxolane-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 292.33 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66266825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).