N-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide

C19H22N2O3 — CID 4944630

IUPACN-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)Oc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H22N2O3/c1-12-5-6-13(2)18(11-12)24-14(3)19(23)21-17-9-7-16(8-10-17)20-15(4)22/h5-11,14H,1-4H3,(H,20,22)(H,21,23)
InChIKeyVGTNTKDONXPLQN-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.67
Rot. Bonds5

About N-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide

N-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide (PubChem CID 4944630) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide
PubChem CID4944630
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)Oc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H22N2O3/c1-12-5-6-13(2)18(11-12)24-14(3)19(23)21-17-9-7-16(8-10-17)20-15(4)22/h5-11,14H,1-4H3,(H,20,22)(H,21,23)
InChIKeyVGTNTKDONXPLQN-UHFFFAOYSA-N
XLogP3.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
CID 4945097
2-(2,5-dimethylphenoxy)-N-[4-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenoxy]phenyl]propanamide
CID 4945102
(2R)-2-(2,5-dimethylphenoxy)-N-phenylpropanamide
CID 7379538
(2R)-2-(2,5-dimethylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 40771491
N-[4-(dimethylamino)phenyl]-2-(2,5-dimethylphenoxy)propanamide
CID 53266988
(2R)-2-(2,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100504761
4-tert-butyl-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]benzamide
CID 17235031
(2S)-2-(2,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide
CID 9296809
2-(2,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 4944710
(2R)-2-(2,5-dimethylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 95712980
2-(2,5-dimethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]propanamide
CID 17130600
2-(2,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 4944790

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide (CID 4944630) is N-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide is CC(=O)Nc1ccc(NC(=O)C(C)Oc2cc(C)ccc2C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide?
The InChIKey is VGTNTKDONXPLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12-5-6-13(2)18(11-12)24-14(3)19(23)21-17-9-7-16(8-10-17)20-15(4)22/h5-11,14H,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide?
N-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide has a molecular weight of 326.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 4944630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).