N-[3-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide

C24H23NO4 — CID 5065918

IUPACN-[3-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
SMILESCOc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccccc3C)c2)cc1
InChIInChI=1S/C24H23NO4/c1-16-7-4-5-10-22(16)24(27)25-19-8-6-9-21(15-19)29-17(2)23(26)18-11-13-20(28-3)14-12-18/h4-15,17H,1-3H3,(H,25,27)
InChIKeyUYWFYNKGCMTDIS-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.91
Rot. Bonds7

About N-[3-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide

N-[3-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide (PubChem CID 5065918) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[3-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
PubChem CID5065918
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC NameN-[3-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
SMILESCOc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccccc3C)c2)cc1
InChIInChI=1S/C24H23NO4/c1-16-7-4-5-10-22(16)24(27)25-19-8-6-9-21(15-19)29-17(2)23(26)18-11-13-20(28-3)14-12-18/h4-15,17H,1-3H3,(H,25,27)
InChIKeyUYWFYNKGCMTDIS-UHFFFAOYSA-N
XLogP4.91
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
CID 19645063
3-methoxy-N-[3-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 1218490
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 51154926
N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
CID 19645144
N-[3-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
CID 977194
N-[3-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxyphenyl]-2-nitrobenzamide
CID 19645011
N-(3,5-dimethoxyphenyl)-2-methylbenzamide
CID 9096893
1-(4-methoxyphenyl)-2-(2-methylphenoxy)propan-1-one
CID 43413172
4-bromo-N-[3-[(2S)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
CID 1218528
N-[3-[4-chloro-1-(4-chlorophenyl)-1-oxobutan-2-yl]oxyphenyl]-2-methylbenzamide
CID 19645108
2-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197346
N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylbenzamide
CID 2234244

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide?
The IUPAC name of N-[3-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide (CID 5065918) is N-[3-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide is COc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccccc3C)c2)cc1.
What is the InChIKey of N-[3-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide?
The InChIKey is UYWFYNKGCMTDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-16-7-4-5-10-22(16)24(27)25-19-8-6-9-21(15-19)29-17(2)23(26)18-11-13-20(28-3)14-12-18/h4-15,17H,1-3H3,(H,25,27).
What are the key properties of N-[3-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide?
N-[3-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide has a molecular weight of 389.45 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide is sourced from PubChem (CID 5065918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).