N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethoxy-4-(2-methylpropoxy)benzamide

C22H27NO5 — CID 24536975

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
SMILESCCOc1cc(C(=O)NCC2COc3ccccc3O2)ccc1OCC(C)C
InChIInChI=1S/C22H27NO5/c1-4-25-21-11-16(9-10-19(21)26-13-15(2)3)22(24)23-12-17-14-27-18-7-5-6-8-20(18)28-17/h5-11,15,17H,4,12-14H2,1-3H3,(H,23,24)
InChIKeyUBXSKLQMWNQJTM-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.69
Rot. Bonds8

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethoxy-4-(2-methylpropoxy)benzamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethoxy-4-(2-methylpropoxy)benzamide (PubChem CID 24536975) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethoxy-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
PubChem CID24536975
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
SMILESCCOc1cc(C(=O)NCC2COc3ccccc3O2)ccc1OCC(C)C
InChIInChI=1S/C22H27NO5/c1-4-25-21-11-16(9-10-19(21)26-13-15(2)3)22(24)23-12-17-14-27-18-7-5-6-8-20(18)28-17/h5-11,15,17H,4,12-14H2,1-3H3,(H,23,24)
InChIKeyUBXSKLQMWNQJTM-UHFFFAOYSA-N
XLogP3.69
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-diethoxybenzamide
CID 8872749
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxy-3-methylbenzamide
CID 86937944
3-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-ethoxybenzamide
CID 100583600
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4,5-triethoxybenzamide
CID 7924872
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 845157
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxybenzamide
CID 3131753
N-[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 42886251
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-dimethylbenzamide
CID 40551299
N-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 51166778
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-ethoxy-3-methylbenzamide
CID 86938103
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-fluoro-4-methylbenzamide
CID 17459252
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methylbenzamide
CID 7758589

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethoxy-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethoxy-4-(2-methylpropoxy)benzamide (CID 24536975) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethoxy-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethoxy-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethoxy-4-(2-methylpropoxy)benzamide is CCOc1cc(C(=O)NCC2COc3ccccc3O2)ccc1OCC(C)C.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethoxy-4-(2-methylpropoxy)benzamide?
The InChIKey is UBXSKLQMWNQJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-4-25-21-11-16(9-10-19(21)26-13-15(2)3)22(24)23-12-17-14-27-18-7-5-6-8-20(18)28-17/h5-11,15,17H,4,12-14H2,1-3H3,(H,23,24).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethoxy-4-(2-methylpropoxy)benzamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethoxy-4-(2-methylpropoxy)benzamide has a molecular weight of 385.46 g/mol, XLogP of 3.69, 8 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)-3-ethoxy-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 24536975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).