N-[4-(dimethylamino)phenyl]-2-(2,5-dimethylphenoxy)propanamide

C19H24N2O2 — CID 53266988

IUPACN-[4-(dimethylamino)phenyl]-2-(2,5-dimethylphenoxy)propanamide
SMILESCc1ccc(C)c(OC(C)C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C19H24N2O2/c1-13-6-7-14(2)18(12-13)23-15(3)19(22)20-16-8-10-17(11-9-16)21(4)5/h6-12,15H,1-5H3,(H,20,22)
InChIKeyZYEOYSZTVNGDOV-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.78
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-2-(2,5-dimethylphenoxy)propanamide

N-[4-(dimethylamino)phenyl]-2-(2,5-dimethylphenoxy)propanamide (PubChem CID 53266988) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(2,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(2,5-dimethylphenoxy)propanamide
PubChem CID53266988
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(2,5-dimethylphenoxy)propanamide
SMILESCc1ccc(C)c(OC(C)C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C19H24N2O2/c1-13-6-7-14(2)18(12-13)23-15(3)19(22)20-16-8-10-17(11-9-16)21(4)5/h6-12,15H,1-5H3,(H,20,22)
InChIKeyZYEOYSZTVNGDOV-UHFFFAOYSA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

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
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
3-[2-(2,5-dimethylphenoxy)propanoylamino]-N-methyl-N-phenylbenzamide
CID 17227809
(2S)-2-(2,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide
CID 9296809
(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
2-(2,5-dimethylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]propanamide
CID 17130600
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(2,5-dimethylphenoxy)propanamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(2,5-dimethylphenoxy)propanamide (CID 53266988) is N-[4-(dimethylamino)phenyl]-2-(2,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(2,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(2,5-dimethylphenoxy)propanamide is Cc1ccc(C)c(OC(C)C(=O)Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(2,5-dimethylphenoxy)propanamide?
The InChIKey is ZYEOYSZTVNGDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-6-7-14(2)18(12-13)23-15(3)19(22)20-16-8-10-17(11-9-16)21(4)5/h6-12,15H,1-5H3,(H,20,22).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(2,5-dimethylphenoxy)propanamide?
N-[4-(dimethylamino)phenyl]-2-(2,5-dimethylphenoxy)propanamide has a molecular weight of 312.41 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(2,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 53266988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).