N-(3,4-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide

C25H28N2O2 — CID 54826855

IUPACN-(3,4-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
SMILESCc1ccc(NC(=O)CNc2ccccc2OCCCc2ccccc2)cc1C
InChIInChI=1S/C25H28N2O2/c1-19-14-15-22(17-20(19)2)27-25(28)18-26-23-12-6-7-13-24(23)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)
InChIKeyNWVLCYNFXOOPGT-UHFFFAOYSA-N
MW388.51 g/mol
LogP5.37
Rot. Bonds9

About N-(3,4-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide

N-(3,4-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide (PubChem CID 54826855) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
PubChem CID54826855
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-(3,4-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
SMILESCc1ccc(NC(=O)CNc2ccccc2OCCCc2ccccc2)cc1C
InChIInChI=1S/C25H28N2O2/c1-19-14-15-22(17-20(19)2)27-25(28)18-26-23-12-6-7-13-24(23)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)
InChIKeyNWVLCYNFXOOPGT-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-(3,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827069
N-(2,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827070
3-phenyl-N-[3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54826779
2-methyl-N-[4-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827227
N-(3,4-dimethylphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825918
3-methyl-N-[4-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]benzamide
CID 54827048
N-(3-hexoxyphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827137
2-[2-(3-phenylpropoxy)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54826954
N-ethyl-3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54826893
2-[2-(2-ethoxyethoxy)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 54827411
N-[4-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839684
2-chloro-N-cyclohexyl-5-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54826777

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide (CID 54826855) is N-(3,4-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide is Cc1ccc(NC(=O)CNc2ccccc2OCCCc2ccccc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide?
The InChIKey is NWVLCYNFXOOPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-19-14-15-22(17-20(19)2)27-25(28)18-26-23-12-6-7-13-24(23)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-(3,4-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide?
N-(3,4-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-(3,4-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide is sourced from PubChem (CID 54826855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).