4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

C26H28N2O5 — CID 55589061

IUPAC4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc2)c1
InChIInChI=1S/C26H28N2O5/c1-18(2)33-23-11-7-19(8-12-23)16-27-26(30)20-9-13-22(14-10-20)32-17-25(29)28-21-5-4-6-24(15-21)31-3/h4-15,18H,16-17H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyYWKVBQAFLDTSIY-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.43
Rot. Bonds10

About 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (PubChem CID 55589061) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
PubChem CID55589061
Molecular FormulaC26H28N2O5
Molecular Weight448.52 g/mol
Exact Mass448.20
IUPAC Name4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc2)c1
InChIInChI=1S/C26H28N2O5/c1-18(2)33-23-11-7-19(8-12-23)16-27-26(30)20-9-13-22(14-10-20)32-17-25(29)28-21-5-4-6-24(15-21)31-3/h4-15,18H,16-17H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyYWKVBQAFLDTSIY-UHFFFAOYSA-N
XLogP4.43
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 55693837
1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046735
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-(2-phenoxyethyl)benzamide
CID 27758187
2-[4-(aminomethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 16795321
3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46593010
N-(3-chlorophenyl)-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide
CID 162640903
2-(4-bromophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154695
2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 55343241
N'-(3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide
CID 108955570
2-(4-methoxyphenyl)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154686
N-[2-(3-chlorophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 27838613
2-[(4-methoxyphenyl)methylamino]-N-(3-propan-2-yloxyphenyl)acetamide
CID 54837882

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The IUPAC name of 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (CID 55589061) is 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The canonical SMILES for 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide is COc1cccc(NC(=O)COc2ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc2)c1.
What is the InChIKey of 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The InChIKey is YWKVBQAFLDTSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5/c1-18(2)33-23-11-7-19(8-12-23)16-27-26(30)20-9-13-22(14-10-20)32-17-25(29)28-21-5-4-6-24(15-21)31-3/h4-15,18H,16-17H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide has a molecular weight of 448.52 g/mol, XLogP of 4.43, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide is sourced from PubChem (CID 55589061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).