N-[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-4-methylbenzamide

C23H21NO4 — CID 19644977

IUPACN-[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-4-methylbenzamide
SMILESCOc1ccc(C(=O)COc2cccc(NC(=O)c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C23H21NO4/c1-16-6-8-18(9-7-16)23(26)24-19-4-3-5-21(14-19)28-15-22(25)17-10-12-20(27-2)13-11-17/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyUVNPDYPRUUAAST-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.52
Rot. Bonds7

About N-[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-4-methylbenzamide

N-[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-4-methylbenzamide (PubChem CID 19644977) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is N-[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-4-methylbenzamide
PubChem CID19644977
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC NameN-[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-4-methylbenzamide
SMILESCOc1ccc(C(=O)COc2cccc(NC(=O)c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C23H21NO4/c1-16-6-8-18(9-7-16)23(26)24-19-4-3-5-21(14-19)28-15-22(25)17-10-12-20(27-2)13-11-17/h3-14H,15H2,1-2H3,(H,24,26)
InChIKeyUVNPDYPRUUAAST-UHFFFAOYSA-N
XLogP4.52
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide
CID 43369186
4-bromo-N-[3-[2-(3,4-dimethylphenyl)-2-oxoethoxy]phenyl]benzamide
CID 1218497
N-hydroxy-4-[[3-[(4-methoxybenzoyl)amino]phenoxy]methyl]benzamide
CID 153407823
4-bromo-N-[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide
CID 19644940
N-(3-heptoxyphenyl)-4-methylbenzamide
CID 17138098
4-methyl-N-(3-propan-2-yloxyphenyl)benzamide
CID 2989293
methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate
CID 973408
N-(3-methoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 1289534
2-(3-fluorophenoxy)-1-(4-methoxyphenyl)ethanone
CID 43413421
4-methyl-N-(3-phenoxyphenyl)benzamide
CID 59304535
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
N-[(3-methoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 801924

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-4-methylbenzamide?
The IUPAC name of N-[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-4-methylbenzamide (CID 19644977) is N-[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-4-methylbenzamide is COc1ccc(C(=O)COc2cccc(NC(=O)c3ccc(C)cc3)c2)cc1.
What is the InChIKey of N-[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-4-methylbenzamide?
The InChIKey is UVNPDYPRUUAAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-16-6-8-18(9-7-16)23(26)24-19-4-3-5-21(14-19)28-15-22(25)17-10-12-20(27-2)13-11-17/h3-14H,15H2,1-2H3,(H,24,26).
What are the key properties of N-[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-4-methylbenzamide?
N-[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-4-methylbenzamide has a molecular weight of 375.42 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-4-methylbenzamide is sourced from PubChem (CID 19644977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).