3-[2-(4-methylphenoxy)propanoylamino]-N-(3-methylphenyl)benzamide

C24H24N2O3 — CID 43877477

IUPAC3-[2-(4-methylphenoxy)propanoylamino]-N-(3-methylphenyl)benzamide
SMILESCc1ccc(OC(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C)c3)c2)cc1
InChIInChI=1S/C24H24N2O3/c1-16-10-12-22(13-11-16)29-18(3)23(27)25-21-9-5-7-19(15-21)24(28)26-20-8-4-6-17(2)14-20/h4-15,18H,1-3H3,(H,25,27)(H,26,28)
InChIKeyVSSTVHNRIBDYFX-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.96
Rot. Bonds6

About 3-[2-(4-methylphenoxy)propanoylamino]-N-(3-methylphenyl)benzamide

3-[2-(4-methylphenoxy)propanoylamino]-N-(3-methylphenyl)benzamide (PubChem CID 43877477) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-[2-(4-methylphenoxy)propanoylamino]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[2-(4-methylphenoxy)propanoylamino]-N-(3-methylphenyl)benzamide
PubChem CID43877477
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name3-[2-(4-methylphenoxy)propanoylamino]-N-(3-methylphenyl)benzamide
SMILESCc1ccc(OC(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C)c3)c2)cc1
InChIInChI=1S/C24H24N2O3/c1-16-10-12-22(13-11-16)29-18(3)23(27)25-21-9-5-7-19(15-21)24(28)26-20-8-4-6-17(2)14-20/h4-15,18H,1-3H3,(H,25,27)(H,26,28)
InChIKeyVSSTVHNRIBDYFX-UHFFFAOYSA-N
XLogP4.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-chlorophenoxy)propanoylamino]-N-(3-methylphenyl)benzamide
CID 43877483
3-methyl-N-[4-[2-(4-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17252287
N-(3-methylphenyl)-3-[2-(4-nitrophenoxy)propanoylamino]benzamide
CID 43877491
(2R)-N-(3-bromophenyl)-2-(4-methylphenoxy)propanamide
CID 26157123
N-(3-chloro-4-fluorophenyl)-3-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 43877922
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
(2R)-2-(4-fluorophenoxy)-N-(3-methylphenyl)propanamide
CID 26218148
3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109056925
N-phenyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 54781105
(2S)-N-(3-methylphenyl)-2-(4-propanoylphenoxy)propanamide
CID 7788153
(2S)-2-(3,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 7610576

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylphenoxy)propanoylamino]-N-(3-methylphenyl)benzamide?
The IUPAC name of 3-[2-(4-methylphenoxy)propanoylamino]-N-(3-methylphenyl)benzamide (CID 43877477) is 3-[2-(4-methylphenoxy)propanoylamino]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 3-[2-(4-methylphenoxy)propanoylamino]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 3-[2-(4-methylphenoxy)propanoylamino]-N-(3-methylphenyl)benzamide is Cc1ccc(OC(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C)c3)c2)cc1.
What is the InChIKey of 3-[2-(4-methylphenoxy)propanoylamino]-N-(3-methylphenyl)benzamide?
The InChIKey is VSSTVHNRIBDYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-16-10-12-22(13-11-16)29-18(3)23(27)25-21-9-5-7-19(15-21)24(28)26-20-8-4-6-17(2)14-20/h4-15,18H,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 3-[2-(4-methylphenoxy)propanoylamino]-N-(3-methylphenyl)benzamide?
3-[2-(4-methylphenoxy)propanoylamino]-N-(3-methylphenyl)benzamide has a molecular weight of 388.47 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylphenoxy)propanoylamino]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 43877477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).