2-[4-(2-methylpropoxy)anilino]-N-[3-(3-phenylpropoxy)phenyl]acetamide

C27H32N2O3 — CID 54820471

IUPAC2-[4-(2-methylpropoxy)anilino]-N-[3-(3-phenylpropoxy)phenyl]acetamide
SMILESCC(C)COc1ccc(NCC(=O)Nc2cccc(OCCCc3ccccc3)c2)cc1
InChIInChI=1S/C27H32N2O3/c1-21(2)20-32-25-15-13-23(14-16-25)28-19-27(30)29-24-11-6-12-26(18-24)31-17-7-10-22-8-4-3-5-9-22/h3-6,8-9,11-16,18,21,28H,7,10,17,19-20H2,1-2H3,(H,29,30)
InChIKeyIBMDFSPRPXOJNK-UHFFFAOYSA-N
MW432.56 g/mol
LogP5.78
Rot. Bonds12

About 2-[4-(2-methylpropoxy)anilino]-N-[3-(3-phenylpropoxy)phenyl]acetamide

2-[4-(2-methylpropoxy)anilino]-N-[3-(3-phenylpropoxy)phenyl]acetamide (PubChem CID 54820471) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is 2-[4-(2-methylpropoxy)anilino]-N-[3-(3-phenylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-methylpropoxy)anilino]-N-[3-(3-phenylpropoxy)phenyl]acetamide
PubChem CID54820471
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Name2-[4-(2-methylpropoxy)anilino]-N-[3-(3-phenylpropoxy)phenyl]acetamide
SMILESCC(C)COc1ccc(NCC(=O)Nc2cccc(OCCCc3ccccc3)c2)cc1
InChIInChI=1S/C27H32N2O3/c1-21(2)20-32-25-15-13-23(14-16-25)28-19-27(30)29-24-11-6-12-26(18-24)31-17-7-10-22-8-4-3-5-9-22/h3-6,8-9,11-16,18,21,28H,7,10,17,19-20H2,1-2H3,(H,29,30)
InChIKeyIBMDFSPRPXOJNK-UHFFFAOYSA-N
XLogP5.78
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-anilino-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54810289
2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54824959
N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54825403
2-methyl-N-[3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54831793
2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]acetamide
CID 54810854
N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827369
2-(3-heptoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54829257
N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide
CID 54827901
N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]hexanamide
CID 54825283
N-[[3-(2-methylpropoxy)phenyl]methyl]-4-(3-phenylpropoxy)aniline
CID 54801132
N-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825334
N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54827335

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropoxy)anilino]-N-[3-(3-phenylpropoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(2-methylpropoxy)anilino]-N-[3-(3-phenylpropoxy)phenyl]acetamide (CID 54820471) is 2-[4-(2-methylpropoxy)anilino]-N-[3-(3-phenylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-methylpropoxy)anilino]-N-[3-(3-phenylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(2-methylpropoxy)anilino]-N-[3-(3-phenylpropoxy)phenyl]acetamide is CC(C)COc1ccc(NCC(=O)Nc2cccc(OCCCc3ccccc3)c2)cc1.
What is the InChIKey of 2-[4-(2-methylpropoxy)anilino]-N-[3-(3-phenylpropoxy)phenyl]acetamide?
The InChIKey is IBMDFSPRPXOJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-21(2)20-32-25-15-13-23(14-16-25)28-19-27(30)29-24-11-6-12-26(18-24)31-17-7-10-22-8-4-3-5-9-22/h3-6,8-9,11-16,18,21,28H,7,10,17,19-20H2,1-2H3,(H,29,30).
What are the key properties of 2-[4-(2-methylpropoxy)anilino]-N-[3-(3-phenylpropoxy)phenyl]acetamide?
2-[4-(2-methylpropoxy)anilino]-N-[3-(3-phenylpropoxy)phenyl]acetamide has a molecular weight of 432.56 g/mol, XLogP of 5.78, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropoxy)anilino]-N-[3-(3-phenylpropoxy)phenyl]acetamide is sourced from PubChem (CID 54820471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).