2-[4-(2-methylpropoxy)anilino]-N-(2-phenylethyl)acetamide

C20H26N2O2 — CID 54820433

IUPAC2-[4-(2-methylpropoxy)anilino]-N-(2-phenylethyl)acetamide
SMILESCC(C)COc1ccc(NCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-16(2)15-24-19-10-8-18(9-11-19)22-14-20(23)21-13-12-17-6-4-3-5-7-17/h3-11,16,22H,12-15H2,1-2H3,(H,21,23)
InChIKeyIDOPGJPGKPJKNI-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.49
Rot. Bonds9

About 2-[4-(2-methylpropoxy)anilino]-N-(2-phenylethyl)acetamide

2-[4-(2-methylpropoxy)anilino]-N-(2-phenylethyl)acetamide (PubChem CID 54820433) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[4-(2-methylpropoxy)anilino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methylpropoxy)anilino]-N-(2-phenylethyl)acetamide
PubChem CID54820433
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-[4-(2-methylpropoxy)anilino]-N-(2-phenylethyl)acetamide
SMILESCC(C)COc1ccc(NCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-16(2)15-24-19-10-8-18(9-11-19)22-14-20(23)21-13-12-17-6-4-3-5-7-17/h3-11,16,22H,12-15H2,1-2H3,(H,21,23)
InChIKeyIDOPGJPGKPJKNI-UHFFFAOYSA-N
XLogP3.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(2-phenylethylamino)ethyl] 4-(2-methylpropoxy)benzoate
CID 2680578
N-benzyl-4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54843854
2-[4-(2-methylpropoxy)anilino]-N-[3-(3-phenylpropoxy)phenyl]acetamide
CID 54820471
2-(naphthalen-2-ylamino)-N-(2-phenylethyl)acetamide
CID 26417168
N-(4-acetamidophenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820398
2-anilino-N-[2-(2-methylpropoxy)ethyl]acetamide
CID 115738429
N-[2-(3-methoxyphenyl)ethyl]-2-(4-phenoxyanilino)acetamide
CID 109001103
3-methyl-N-[4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54823706
2-[4-(diethylamino)anilino]-N-(2-phenylethyl)acetamide
CID 109000006
N-butan-2-yl-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823902
2-[4-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide
CID 47007122
2-(4-ethoxyanilino)-N-(3-methylbutyl)acetamide
CID 39364243

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropoxy)anilino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[4-(2-methylpropoxy)anilino]-N-(2-phenylethyl)acetamide (CID 54820433) is 2-[4-(2-methylpropoxy)anilino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-(2-methylpropoxy)anilino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[4-(2-methylpropoxy)anilino]-N-(2-phenylethyl)acetamide is CC(C)COc1ccc(NCC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 2-[4-(2-methylpropoxy)anilino]-N-(2-phenylethyl)acetamide?
The InChIKey is IDOPGJPGKPJKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-16(2)15-24-19-10-8-18(9-11-19)22-14-20(23)21-13-12-17-6-4-3-5-7-17/h3-11,16,22H,12-15H2,1-2H3,(H,21,23).
What are the key properties of 2-[4-(2-methylpropoxy)anilino]-N-(2-phenylethyl)acetamide?
2-[4-(2-methylpropoxy)anilino]-N-(2-phenylethyl)acetamide has a molecular weight of 326.44 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropoxy)anilino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 54820433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).