N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide

C24H26N2O5 — CID 46586870

IUPACN-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCc2cccc(OC)c2OC)ccc1OCc1cccnc1
InChIInChI=1S/C24H26N2O5/c1-4-30-22-13-18(10-11-20(22)31-16-17-7-6-12-25-14-17)24(27)26-15-19-8-5-9-21(28-2)23(19)29-3/h5-14H,4,15-16H2,1-3H3,(H,26,27)
InChIKeyBEEDGNDMMZDGSH-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.01
Rot. Bonds10

About N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide

N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 46586870) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID46586870
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCc2cccc(OC)c2OC)ccc1OCc1cccnc1
InChIInChI=1S/C24H26N2O5/c1-4-30-22-13-18(10-11-20(22)31-16-17-7-6-12-25-14-17)24(27)26-15-19-8-5-9-21(28-2)23(19)29-3/h5-14H,4,15-16H2,1-3H3,(H,26,27)
InChIKeyBEEDGNDMMZDGSH-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 46671493
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55715428
N-[2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 46586806
3-ethoxy-4-(pyridin-3-ylmethoxy)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide
CID 37298392
3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
3-ethoxy-N-(2-naphthalen-1-yloxyethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 55863222
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 39124709
3-ethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 30837367
3,4-diethoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 60520684

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide (CID 46586870) is N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide is CCOc1cc(C(=O)NCc2cccc(OC)c2OC)ccc1OCc1cccnc1.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is BEEDGNDMMZDGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-4-30-22-13-18(10-11-20(22)31-16-17-7-6-12-25-14-17)24(27)26-15-19-8-5-9-21(28-2)23(19)29-3/h5-14H,4,15-16H2,1-3H3,(H,26,27).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 422.48 g/mol, XLogP of 4.01, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 46586870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).