N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide

C24H24N2O5 — CID 30838786

IUPACN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc3c(c2)OCCCO3)ccc1OCc1ccncc1
InChIInChI=1S/C24H24N2O5/c1-2-28-22-14-18(4-6-21(22)31-16-17-8-10-25-11-9-17)24(27)26-19-5-7-20-23(15-19)30-13-3-12-29-20/h4-11,14-15H,2-3,12-13,16H2,1H3,(H,26,27)
InChIKeyDXNBYKDMOWUTHC-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.47
Rot. Bonds7

About N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide (PubChem CID 30838786) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
PubChem CID30838786
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc3c(c2)OCCCO3)ccc1OCc1ccncc1
InChIInChI=1S/C24H24N2O5/c1-2-28-22-14-18(4-6-21(22)31-16-17-8-10-25-11-9-17)24(27)26-19-5-7-20-23(15-19)30-13-3-12-29-20/h4-11,14-15H,2-3,12-13,16H2,1H3,(H,26,27)
InChIKeyDXNBYKDMOWUTHC-UHFFFAOYSA-N
XLogP4.47
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55578633
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide
CID 8702201
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 30838314
3-ethoxy-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 55840543
3-ethoxy-4-(pyridin-3-ylmethoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 46581715
3-ethoxy-N-(1-methylpyrazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 39681534
3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide
CID 55576010
N-(2,4-dimethylphenyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 25337421
N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 26908303
N-[4-(benzimidazol-1-yl)phenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 55575206
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047812
3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
The IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide (CID 30838786) is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
The canonical SMILES for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide is CCOc1cc(C(=O)Nc2ccc3c(c2)OCCCO3)ccc1OCc1ccncc1.
What is the InChIKey of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
The InChIKey is DXNBYKDMOWUTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-2-28-22-14-18(4-6-21(22)31-16-17-8-10-25-11-9-17)24(27)26-19-5-7-20-23(15-19)30-13-3-12-29-20/h4-11,14-15H,2-3,12-13,16H2,1H3,(H,26,27).
What are the key properties of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide has a molecular weight of 420.47 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide is sourced from PubChem (CID 30838786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).