N-(4-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide

C19H21NO3 — CID 53266489

IUPACN-(4-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)Oc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H21NO3/c1-12-5-10-18(11-13(12)2)23-15(4)19(22)20-17-8-6-16(7-9-17)14(3)21/h5-11,15H,1-4H3,(H,20,22)
InChIKeyDYHJUARUVKBTPR-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.91
Rot. Bonds5

About N-(4-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide

N-(4-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide (PubChem CID 53266489) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide
PubChem CID53266489
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-(4-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)Oc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H21NO3/c1-12-5-10-18(11-13(12)2)23-15(4)19(22)20-17-8-6-16(7-9-17)14(3)21/h5-11,15H,1-4H3,(H,20,22)
InChIKeyDYHJUARUVKBTPR-UHFFFAOYSA-N
XLogP3.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[2-(3,4-dimethylphenoxy)propanoylamino]benzoate
CID 53266248
2-(3,4-dimethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53266277
N-(3-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 17171686
(2R)-N-(4-acetylphenyl)-2-(4-iodophenoxy)propanamide
CID 1222649
ethyl 4-[[(2S)-2-(3,4-dimethylphenoxy)propanoyl]amino]benzoate
CID 889850
N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266599
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate
CID 2563278
(2S)-N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9238804
N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953600
2-(3,4-dimethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133166592
N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 4884528
2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2937968

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide?
The IUPAC name of N-(4-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide (CID 53266489) is N-(4-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide is CC(=O)c1ccc(NC(=O)C(C)Oc2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide?
The InChIKey is DYHJUARUVKBTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-12-5-10-18(11-13(12)2)23-15(4)19(22)20-17-8-6-16(7-9-17)14(3)21/h5-11,15H,1-4H3,(H,20,22).
What are the key properties of N-(4-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide?
N-(4-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide has a molecular weight of 311.38 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide is sourced from PubChem (CID 53266489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).