2-(2-butoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide

C25H28N2O3 — CID 54827744

IUPAC2-(2-butoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide
SMILESCCCCOc1ccccc1NCC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H28N2O3/c1-2-3-17-29-24-12-8-7-11-23(24)26-18-25(28)27-21-13-15-22(16-14-21)30-19-20-9-5-4-6-10-20/h4-16,26H,2-3,17-19H2,1H3,(H,27,28)
InChIKeyWWMMPVQDTUNWMJ-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.50
Rot. Bonds11

About 2-(2-butoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide

2-(2-butoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 54827744) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-(2-butoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-butoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID54827744
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name2-(2-butoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide
SMILESCCCCOc1ccccc1NCC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H28N2O3/c1-2-3-17-29-24-12-8-7-11-23(24)26-18-25(28)27-21-13-15-22(16-14-21)30-19-20-9-5-4-6-10-20/h4-16,26H,2-3,17-19H2,1H3,(H,27,28)
InChIKeyWWMMPVQDTUNWMJ-UHFFFAOYSA-N
XLogP5.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54828232
2-[2-(2-methylpropoxy)anilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 54824046
N-(4-butoxyphenyl)-2-[2-(2-ethoxyethoxy)anilino]acetamide
CID 54827505
2-(2-butoxyanilino)-N-(4-chlorophenyl)acetamide
CID 54827839
2-(2-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54827745
N-(3-heptoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide
CID 54828053
2-[2-(2-ethoxyethoxy)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 54827411
N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide
CID 54821938
4-[[2-(2-butoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54828140
N-(3-hexoxyphenyl)-2-(4-phenylmethoxyanilino)acetamide
CID 54822027
2-[2-(2-ethoxyethoxy)anilino]-N-(4-propoxyphenyl)acetamide
CID 54827535
N-[3-[[2-(2-phenylmethoxyanilino)acetyl]amino]phenyl]hexanamide
CID 54828090

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-(2-butoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide (CID 54827744) is 2-(2-butoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-butoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-(2-butoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide is CCCCOc1ccccc1NCC(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(2-butoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is WWMMPVQDTUNWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-2-3-17-29-24-12-8-7-11-23(24)26-18-25(28)27-21-13-15-22(16-14-21)30-19-20-9-5-4-6-10-20/h4-16,26H,2-3,17-19H2,1H3,(H,27,28).
What are the key properties of 2-(2-butoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide?
2-(2-butoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 404.51 g/mol, XLogP of 5.50, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 54827744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).