N-(2,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide

C25H28N2O2 — CID 54827070

IUPACN-(2,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
SMILESCc1ccc(C)c(NC(=O)CNc2ccccc2OCCCc2ccccc2)c1
InChIInChI=1S/C25H28N2O2/c1-19-14-15-20(2)23(17-19)27-25(28)18-26-22-12-6-7-13-24(22)29-16-8-11-21-9-4-3-5-10-21/h3-7,9-10,12-15,17,26H,8,11,16,18H2,1-2H3,(H,27,28)
InChIKeyKNTBLVAPXJMMQH-UHFFFAOYSA-N
MW388.51 g/mol
LogP5.37
Rot. Bonds9

About N-(2,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide

N-(2,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide (PubChem CID 54827070) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
PubChem CID54827070
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-(2,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
SMILESCc1ccc(C)c(NC(=O)CNc2ccccc2OCCCc2ccccc2)c1
InChIInChI=1S/C25H28N2O2/c1-19-14-15-20(2)23(17-19)27-25(28)18-26-22-12-6-7-13-24(22)29-16-8-11-21-9-4-3-5-10-21/h3-7,9-10,12-15,17,26H,8,11,16,18H2,1-2H3,(H,27,28)
InChIKeyKNTBLVAPXJMMQH-UHFFFAOYSA-N
XLogP5.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54826855
N-(3,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827069
2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54820711
3-methyl-N-[4-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]benzamide
CID 54827048
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-phenylpropoxy)aniline
CID 54801441
N-(2-ethyl-6-methylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54826773
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[2-(3-phenylpropoxy)phenyl]pentanamide
CID 54783951
2-(3,5-dichloroanilino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54813100
3-phenyl-N-[3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54826779
2-(2,5-dimethylanilino)-N-(2-methoxyphenyl)acetamide
CID 9079653
N-(2,5-dimethylphenyl)-2-(2-phenylethoxy)benzamide
CID 19628089
2-methyl-N-[4-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827227

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide (CID 54827070) is N-(2,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide is Cc1ccc(C)c(NC(=O)CNc2ccccc2OCCCc2ccccc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide?
The InChIKey is KNTBLVAPXJMMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-19-14-15-20(2)23(17-19)27-25(28)18-26-22-12-6-7-13-24(22)29-16-8-11-21-9-4-3-5-10-21/h3-7,9-10,12-15,17,26H,8,11,16,18H2,1-2H3,(H,27,28).
What are the key properties of N-(2,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide?
N-(2,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide has a molecular weight of 388.51 g/mol, XLogP of 5.37, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide is sourced from PubChem (CID 54827070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).