3-[2-(2,5-dimethylphenoxy)propanoylamino]-N-methyl-N-phenylbenzamide

C25H26N2O3 — CID 17227809

IUPAC3-[2-(2,5-dimethylphenoxy)propanoylamino]-N-methyl-N-phenylbenzamide
SMILESCc1ccc(C)c(OC(C)C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)c1
InChIInChI=1S/C25H26N2O3/c1-17-13-14-18(2)23(15-17)30-19(3)24(28)26-21-10-8-9-20(16-21)25(29)27(4)22-11-6-5-7-12-22/h5-16,19H,1-4H3,(H,26,28)
InChIKeyDAANUBINTAFWJM-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.99
Rot. Bonds6

About 3-[2-(2,5-dimethylphenoxy)propanoylamino]-N-methyl-N-phenylbenzamide

3-[2-(2,5-dimethylphenoxy)propanoylamino]-N-methyl-N-phenylbenzamide (PubChem CID 17227809) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 3-[2-(2,5-dimethylphenoxy)propanoylamino]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[2-(2,5-dimethylphenoxy)propanoylamino]-N-methyl-N-phenylbenzamide
PubChem CID17227809
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name3-[2-(2,5-dimethylphenoxy)propanoylamino]-N-methyl-N-phenylbenzamide
SMILESCc1ccc(C)c(OC(C)C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)c1
InChIInChI=1S/C25H26N2O3/c1-17-13-14-18(2)23(15-17)30-19(3)24(28)26-21-10-8-9-20(16-21)25(29)27(4)22-11-6-5-7-12-22/h5-16,19H,1-4H3,(H,26,28)
InChIKeyDAANUBINTAFWJM-UHFFFAOYSA-N
XLogP4.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-methyl-N-phenylbenzamide
CID 17227762
(2R)-2-(2,5-dimethylphenoxy)-N-phenylpropanamide
CID 7379538
N-benzyl-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
CID 43887128
N-[4-(dimethylamino)phenyl]-2-(2,5-dimethylphenoxy)propanamide
CID 53266988
ethyl 3-[[(2R)-2-(2,5-dimethylphenoxy)propanoyl]amino]benzoate
CID 95078439
2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
CID 4945097
N-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 4944630
N-(3-chloro-4-fluorophenyl)-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
CID 43877930
(2S)-N-[3-[ethylcarbamoyl(methyl)amino]phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100629956
(2S)-2-(2,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide
CID 9296809
2-(2,5-dimethylphenoxy)-N-[3-(methoxymethyl)phenyl]propanamide
CID 133164632
2-(2,5-dimethylphenoxy)-N-[4-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenoxy]phenyl]propanamide
CID 4945102

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dimethylphenoxy)propanoylamino]-N-methyl-N-phenylbenzamide?
The IUPAC name of 3-[2-(2,5-dimethylphenoxy)propanoylamino]-N-methyl-N-phenylbenzamide (CID 17227809) is 3-[2-(2,5-dimethylphenoxy)propanoylamino]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[2-(2,5-dimethylphenoxy)propanoylamino]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[2-(2,5-dimethylphenoxy)propanoylamino]-N-methyl-N-phenylbenzamide is Cc1ccc(C)c(OC(C)C(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)c1.
What is the InChIKey of 3-[2-(2,5-dimethylphenoxy)propanoylamino]-N-methyl-N-phenylbenzamide?
The InChIKey is DAANUBINTAFWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-17-13-14-18(2)23(15-17)30-19(3)24(28)26-21-10-8-9-20(16-21)25(29)27(4)22-11-6-5-7-12-22/h5-16,19H,1-4H3,(H,26,28).
What are the key properties of 3-[2-(2,5-dimethylphenoxy)propanoylamino]-N-methyl-N-phenylbenzamide?
3-[2-(2,5-dimethylphenoxy)propanoylamino]-N-methyl-N-phenylbenzamide has a molecular weight of 402.49 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethylphenoxy)propanoylamino]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 17227809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).