N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(oxolan-2-ylmethoxy)benzamide

C21H23NO5 — CID 43034954

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(NCC1COc2ccccc2O1)c1ccccc1OCC1CCCO1
InChIInChI=1S/C21H23NO5/c23-21(22-12-16-14-26-19-9-3-4-10-20(19)27-16)17-7-1-2-8-18(17)25-13-15-6-5-11-24-15/h1-4,7-10,15-16H,5-6,11-14H2,(H,22,23)
InChIKeyIGMHPNZOQJAQFJ-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.81
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(oxolan-2-ylmethoxy)benzamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(oxolan-2-ylmethoxy)benzamide (PubChem CID 43034954) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(oxolan-2-ylmethoxy)benzamide
PubChem CID43034954
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(NCC1COc2ccccc2O1)c1ccccc1OCC1CCCO1
InChIInChI=1S/C21H23NO5/c23-21(22-12-16-14-26-19-9-3-4-10-20(19)27-16)17-7-1-2-8-18(17)25-13-15-6-5-11-24-15/h1-4,7-10,15-16H,5-6,11-14H2,(H,22,23)
InChIKeyIGMHPNZOQJAQFJ-UHFFFAOYSA-N
XLogP2.81
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 38211752
N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 78854576
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-propan-2-yloxybenzamide
CID 100581491
2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide
CID 43047937
2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]benzoic acid
CID 6931697
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)benzoic acid
CID 43214838
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxolan-2-ylmethoxy)benzamide
CID 46536372
2-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 46422005
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
methyl (E)-4-[[2-(oxolan-2-ylmethoxy)benzoyl]amino]but-2-enoate
CID 146076875
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3,4-trimethoxybenzamide
CID 3143895
2-[(4-chlorophenyl)methoxy]-N-(oxolan-2-ylmethyl)benzamide
CID 16547670

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(oxolan-2-ylmethoxy)benzamide (CID 43034954) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(oxolan-2-ylmethoxy)benzamide is O=C(NCC1COc2ccccc2O1)c1ccccc1OCC1CCCO1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is IGMHPNZOQJAQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c23-21(22-12-16-14-26-19-9-3-4-10-20(19)27-16)17-7-1-2-8-18(17)25-13-15-6-5-11-24-15/h1-4,7-10,15-16H,5-6,11-14H2,(H,22,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(oxolan-2-ylmethoxy)benzamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 369.42 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 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)-2-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 43034954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).