N-[2-(3-phenylpropoxy)phenyl]-2-(4-prop-2-enoxyanilino)acetamide

C26H28N2O3 — CID 54821479

IUPACN-[2-(3-phenylpropoxy)phenyl]-2-(4-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1ccc(NCC(=O)Nc2ccccc2OCCCc2ccccc2)cc1
InChIInChI=1S/C26H28N2O3/c1-2-18-30-23-16-14-22(15-17-23)27-20-26(29)28-24-12-6-7-13-25(24)31-19-8-11-21-9-4-3-5-10-21/h2-7,9-10,12-17,27H,1,8,11,18-20H2,(H,28,29)
InChIKeyXRKMVQQIXAJFQQ-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.31
Rot. Bonds12

About N-[2-(3-phenylpropoxy)phenyl]-2-(4-prop-2-enoxyanilino)acetamide

N-[2-(3-phenylpropoxy)phenyl]-2-(4-prop-2-enoxyanilino)acetamide (PubChem CID 54821479) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[2-(3-phenylpropoxy)phenyl]-2-(4-prop-2-enoxyanilino)acetamide.

Molecular Properties

Compound NameN-[2-(3-phenylpropoxy)phenyl]-2-(4-prop-2-enoxyanilino)acetamide
PubChem CID54821479
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC NameN-[2-(3-phenylpropoxy)phenyl]-2-(4-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1ccc(NCC(=O)Nc2ccccc2OCCCc2ccccc2)cc1
InChIInChI=1S/C26H28N2O3/c1-2-18-30-23-16-14-22(15-17-23)27-20-26(29)28-24-12-6-7-13-25(24)31-19-8-11-21-9-4-3-5-10-21/h2-7,9-10,12-17,27H,1,8,11,18-20H2,(H,28,29)
InChIKeyXRKMVQQIXAJFQQ-UHFFFAOYSA-N
XLogP5.31
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.31
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-phenylethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54823768
N-(2-butoxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821544
2-[4-(2-phenoxyethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide
CID 54822803
N-[4-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839684
N-[2-(3-phenylpropoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17131462
2-[3-(2-phenoxyethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54826045
N-[2-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823642
2-[3-(2-phenylethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide
CID 54828312
N-(2-propan-2-yloxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821181
2-(3,5-dichloroanilino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54813100
N-[4-(2-phenoxyethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide
CID 54824592
N-(2-phenylmethoxyphenyl)-2-(3-prop-2-enoxyanilino)acetamide
CID 54826275

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenylpropoxy)phenyl]-2-(4-prop-2-enoxyanilino)acetamide?
The IUPAC name of N-[2-(3-phenylpropoxy)phenyl]-2-(4-prop-2-enoxyanilino)acetamide (CID 54821479) is N-[2-(3-phenylpropoxy)phenyl]-2-(4-prop-2-enoxyanilino)acetamide.
What is the SMILES notation for N-[2-(3-phenylpropoxy)phenyl]-2-(4-prop-2-enoxyanilino)acetamide?
The canonical SMILES for N-[2-(3-phenylpropoxy)phenyl]-2-(4-prop-2-enoxyanilino)acetamide is C=CCOc1ccc(NCC(=O)Nc2ccccc2OCCCc2ccccc2)cc1.
What is the InChIKey of N-[2-(3-phenylpropoxy)phenyl]-2-(4-prop-2-enoxyanilino)acetamide?
The InChIKey is XRKMVQQIXAJFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-2-18-30-23-16-14-22(15-17-23)27-20-26(29)28-24-12-6-7-13-25(24)31-19-8-11-21-9-4-3-5-10-21/h2-7,9-10,12-17,27H,1,8,11,18-20H2,(H,28,29).
What are the key properties of N-[2-(3-phenylpropoxy)phenyl]-2-(4-prop-2-enoxyanilino)acetamide?
N-[2-(3-phenylpropoxy)phenyl]-2-(4-prop-2-enoxyanilino)acetamide has a molecular weight of 416.52 g/mol, XLogP of 5.31, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenylpropoxy)phenyl]-2-(4-prop-2-enoxyanilino)acetamide is sourced from PubChem (CID 54821479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).