N-[4-(dimethylamino)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide

C19H24N2O2 — CID 887503

IUPACN-[4-(dimethylamino)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(C)c(OCC(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C19H24N2O2/c1-13-10-14(2)15(3)18(11-13)23-12-19(22)20-16-6-8-17(9-7-16)21(4)5/h6-11H,12H2,1-5H3,(H,20,22)
InChIKeyKHSVVQZXNPIFPX-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.70
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide

N-[4-(dimethylamino)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide (PubChem CID 887503) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide
PubChem CID887503
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(C)c(OCC(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C19H24N2O2/c1-13-10-14(2)15(3)18(11-13)23-12-19(22)20-16-6-8-17(9-7-16)21(4)5/h6-11H,12H2,1-5H3,(H,20,22)
InChIKeyKHSVVQZXNPIFPX-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
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

N-[4-(dimethylamino)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 112978164
N-[4-(dimethylamino)phenyl]-2-(2-methylphenoxy)acetamide
CID 2443872
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 32511589
N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 19177306
N-[3-(dimethylsulfamoyl)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 7705824
2-(4-bromo-3,5-dimethylphenoxy)-N-[4-(dimethylamino)phenyl]acetamide
CID 1329079
N-[4-(dimethylamino)phenyl]-2-naphthalen-1-yloxyacetamide
CID 2327581
N-(6-methyl-2-pyridinyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 887387
N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 19177344
2-(2-bromo-4-propan-2-ylphenoxy)-N-[4-(dimethylamino)phenyl]acetamide
CID 2194297
4-tert-butyl-N-[3-[[2-(2,3,5-trimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 46763392

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide (CID 887503) is N-[4-(dimethylamino)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide is Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide?
The InChIKey is KHSVVQZXNPIFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-10-14(2)15(3)18(11-13)23-12-19(22)20-16-6-8-17(9-7-16)21(4)5/h6-11H,12H2,1-5H3,(H,20,22).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide?
N-[4-(dimethylamino)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide has a molecular weight of 312.41 g/mol, XLogP of 3.70, 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-(2,3,5-trimethylphenoxy)acetamide is sourced from PubChem (CID 887503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).