4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide

C25H26N2O4 — CID 41102959

IUPAC4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)N[C@H](C)c3ccccc3C)cc2)c1
InChIInChI=1S/C25H26N2O4/c1-17-7-4-5-10-23(17)18(2)26-25(29)19-11-13-21(14-12-19)31-16-24(28)27-20-8-6-9-22(15-20)30-3/h4-15,18H,16H2,1-3H3,(H,26,29)(H,27,28)/t18-/m1/s1
InChIKeyPRLYRUCTAYCVHK-GOSISDBHSA-N
MW418.49 g/mol
LogP4.51
Rot. Bonds8

About 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide

4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide (PubChem CID 41102959) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide
PubChem CID41102959
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)N[C@H](C)c3ccccc3C)cc2)c1
InChIInChI=1S/C25H26N2O4/c1-17-7-4-5-10-23(17)18(2)26-25(29)19-11-13-21(14-12-19)31-16-24(28)27-20-8-6-9-22(15-20)30-3/h4-15,18H,16H2,1-3H3,(H,26,29)(H,27,28)/t18-/m1/s1
InChIKeyPRLYRUCTAYCVHK-GOSISDBHSA-N
XLogP4.51
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-cyanophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 55583010
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-(2-phenoxyethyl)benzamide
CID 27758187
N-[1-(1-adamantyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 5234660
2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 55343241
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538998
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366
N-(2-amino-1-cyclopropylethyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide;hydrochloride
CID 119616067
3-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877736
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
N-(2-benzylphenyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 26880186
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55589061
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide?
The IUPAC name of 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide (CID 41102959) is 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide?
The canonical SMILES for 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide is COc1cccc(NC(=O)COc2ccc(C(=O)N[C@H](C)c3ccccc3C)cc2)c1.
What is the InChIKey of 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide?
The InChIKey is PRLYRUCTAYCVHK-GOSISDBHSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-17-7-4-5-10-23(17)18(2)26-25(29)19-11-13-21(14-12-19)31-16-24(28)27-20-8-6-9-22(15-20)30-3/h4-15,18H,16H2,1-3H3,(H,26,29)(H,27,28)/t18-/m1/s1.
What are the key properties of 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide?
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide has a molecular weight of 418.49 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 41102959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).