2-(4-chlorophenoxy)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]acetamide

C22H21ClN2O4 — CID 47042624

IUPAC2-(4-chlorophenoxy)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]acetamide
SMILESCOc1cc(CNC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccncc1
InChIInChI=1S/C22H21ClN2O4/c1-27-21-12-17(2-7-20(21)29-14-16-8-10-24-11-9-16)13-25-22(26)15-28-19-5-3-18(23)4-6-19/h2-12H,13-15H2,1H3,(H,25,26)
InChIKeyDNRKAJSSAUIXGL-UHFFFAOYSA-N
MW412.87 g/mol
LogP4.02
Rot. Bonds9

About 2-(4-chlorophenoxy)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]acetamide

2-(4-chlorophenoxy)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]acetamide (PubChem CID 47042624) has the molecular formula C22H21ClN2O4 and a molecular weight of 412.87 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]acetamide
PubChem CID47042624
Molecular FormulaC22H21ClN2O4
Molecular Weight412.87 g/mol
Exact Mass412.12
IUPAC Name2-(4-chlorophenoxy)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]acetamide
SMILESCOc1cc(CNC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccncc1
InChIInChI=1S/C22H21ClN2O4/c1-27-21-12-17(2-7-20(21)29-14-16-8-10-24-11-9-16)13-25-22(26)15-28-19-5-3-18(23)4-6-19/h2-12H,13-15H2,1H3,(H,25,26)
InChIKeyDNRKAJSSAUIXGL-UHFFFAOYSA-N
XLogP4.02
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.87
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(4-phenoxyphenoxy)acetamide
CID 55845333
4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55745020
4-butoxy-N-[2-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55843425
2-(3,4-dichlorophenoxy)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide
CID 55660605
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
2-(3-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2707667
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 2568679
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-4-ylmethyl)azanium
CID 7228193
2-(4-chlorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide
CID 38628569
N-[[4-[2-(4-chlorophenoxy)ethoxy]-3-methoxyphenyl]methyl]-2-cyanoacetamide
CID 20991454
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]thiophene-3-carboxamide
CID 47042626
3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
CID 46478795

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]acetamide (CID 47042624) is 2-(4-chlorophenoxy)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]acetamide is COc1cc(CNC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccncc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]acetamide?
The InChIKey is DNRKAJSSAUIXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4/c1-27-21-12-17(2-7-20(21)29-14-16-8-10-24-11-9-16)13-25-22(26)15-28-19-5-3-18(23)4-6-19/h2-12H,13-15H2,1H3,(H,25,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]acetamide?
2-(4-chlorophenoxy)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]acetamide has a molecular weight of 412.87 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 47042624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).