2-(3-methoxyphenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide

C24H26N2O4 — CID 55806619

IUPAC2-(3-methoxyphenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide
SMILESCOc1cccc(CC(=O)NC(C)c2ccc(OCc3ccncc3)c(OC)c2)c1
InChIInChI=1S/C24H26N2O4/c1-17(26-24(27)14-19-5-4-6-21(13-19)28-2)20-7-8-22(23(15-20)29-3)30-16-18-9-11-25-12-10-18/h4-13,15,17H,14,16H2,1-3H3,(H,26,27)
InChIKeyZZDMUACDJCYJNQ-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.10
Rot. Bonds9

About 2-(3-methoxyphenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide

2-(3-methoxyphenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide (PubChem CID 55806619) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide
PubChem CID55806619
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name2-(3-methoxyphenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide
SMILESCOc1cccc(CC(=O)NC(C)c2ccc(OCc3ccncc3)c(OC)c2)c1
InChIInChI=1S/C24H26N2O4/c1-17(26-24(27)14-19-5-4-6-21(13-19)28-2)20-7-8-22(23(15-20)29-3)30-16-18-9-11-25-12-10-18/h4-13,15,17H,14,16H2,1-3H3,(H,26,27)
InChIKeyZZDMUACDJCYJNQ-UHFFFAOYSA-N
XLogP4.10
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide
CID 55806772
N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119852198
2-(4-fluorophenyl)sulfanyl-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide
CID 55807913
2-iodo-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide
CID 55808073
4-(4-chlorophenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]butanamide
CID 55807066
(Z)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-methylpent-2-enamide
CID 51123778
4-amino-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]butanamide
CID 119288244
5-chloro-2-methoxy-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide
CID 55807881
1-amino-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119852194
N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55806616
N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933705
2-(3-methoxyphenyl)-N-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]acetamide
CID 51108863

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide (CID 55806619) is 2-(3-methoxyphenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide is COc1cccc(CC(=O)NC(C)c2ccc(OCc3ccncc3)c(OC)c2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide?
The InChIKey is ZZDMUACDJCYJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-17(26-24(27)14-19-5-4-6-21(13-19)28-2)20-7-8-22(23(15-20)29-3)30-16-18-9-11-25-12-10-18/h4-13,15,17H,14,16H2,1-3H3,(H,26,27).
What are the key properties of 2-(3-methoxyphenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide?
2-(3-methoxyphenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide has a molecular weight of 406.48 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 55806619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).