3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide

C24H26N2O5 — CID 46426672

IUPAC3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(OC)c(OCc3cccnc3)c2)cc1OCC
InChIInChI=1S/C24H26N2O5/c1-4-29-21-10-8-18(13-22(21)30-5-2)24(27)26-19-9-11-20(28-3)23(14-19)31-16-17-7-6-12-25-15-17/h6-15H,4-5,16H2,1-3H3,(H,26,27)
InChIKeyMRLISJNENJYOBP-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.72
Rot. Bonds10

About 3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide

3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide (PubChem CID 46426672) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is 3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
PubChem CID46426672
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(OC)c(OCc3cccnc3)c2)cc1OCC
InChIInChI=1S/C24H26N2O5/c1-4-29-21-10-8-18(13-22(21)30-5-2)24(27)26-19-9-11-20(28-3)23(14-19)31-16-17-7-6-12-25-15-17/h6-15H,4-5,16H2,1-3H3,(H,26,27)
InChIKeyMRLISJNENJYOBP-UHFFFAOYSA-N
XLogP4.72
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480
N-(5-acetamido-2-methoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 39106187
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
3,4-diethoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 60520684
3-ethoxy-N-(3-fluorophenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39111619
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55578633
3-ethoxy-N-(3-nitrophenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39269336
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 38628144
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
3-ethoxy-4-(pyridin-3-ylmethoxy)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 25345669
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-methylbutanamide
CID 42958626
3-ethoxy-4-(pyridin-3-ylmethoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 46581715

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide (CID 46426672) is 3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccc(OC)c(OCc3cccnc3)c2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide?
The InChIKey is MRLISJNENJYOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-4-29-21-10-8-18(13-22(21)30-5-2)24(27)26-19-9-11-20(28-3)23(14-19)31-16-17-7-6-12-25-15-17/h6-15H,4-5,16H2,1-3H3,(H,26,27).
What are the key properties of 3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide?
3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide has a molecular weight of 422.48 g/mol, XLogP of 4.72, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 46426672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).