2-(2-methylprop-2-enoxy)-N-[2-(3-phenylpropoxy)phenyl]benzamide

C26H27NO3 — CID 17131528

IUPAC2-(2-methylprop-2-enoxy)-N-[2-(3-phenylpropoxy)phenyl]benzamide
SMILESC=C(C)COc1ccccc1C(=O)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C26H27NO3/c1-20(2)19-30-24-16-8-6-14-22(24)26(28)27-23-15-7-9-17-25(23)29-18-10-13-21-11-4-3-5-12-21/h3-9,11-12,14-17H,1,10,13,18-19H2,2H3,(H,27,28)
InChIKeyXYTUTCDEFMXJOC-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.91
Rot. Bonds10

About 2-(2-methylprop-2-enoxy)-N-[2-(3-phenylpropoxy)phenyl]benzamide

2-(2-methylprop-2-enoxy)-N-[2-(3-phenylpropoxy)phenyl]benzamide (PubChem CID 17131528) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoxy)-N-[2-(3-phenylpropoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-(2-methylprop-2-enoxy)-N-[2-(3-phenylpropoxy)phenyl]benzamide
PubChem CID17131528
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC Name2-(2-methylprop-2-enoxy)-N-[2-(3-phenylpropoxy)phenyl]benzamide
SMILESC=C(C)COc1ccccc1C(=O)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C26H27NO3/c1-20(2)19-30-24-16-8-6-14-22(24)26(28)27-23-15-7-9-17-25(23)29-18-10-13-21-11-4-3-5-12-21/h3-9,11-12,14-17H,1,10,13,18-19H2,2H3,(H,27,28)
InChIKeyXYTUTCDEFMXJOC-UHFFFAOYSA-N
XLogP5.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hexoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131458
2-fluoro-N-[2-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17113262
2-butoxy-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]benzamide
CID 17113365
1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide
CID 17113421
5-bromo-2-butoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131495
N-(4-anilinophenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130408
5-methyl-N-[2-(3-phenylpropoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 50954483
N-(2-bromophenyl)-2-(2-phenylethoxy)benzamide
CID 19628130
4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131440
2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54820711
N-[2-(3-phenylpropoxy)phenyl]thiophene-2-carboxamide
CID 17131369
N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoxy)-N-[2-(3-phenylpropoxy)phenyl]benzamide?
The IUPAC name of 2-(2-methylprop-2-enoxy)-N-[2-(3-phenylpropoxy)phenyl]benzamide (CID 17131528) is 2-(2-methylprop-2-enoxy)-N-[2-(3-phenylpropoxy)phenyl]benzamide.
What is the SMILES notation for 2-(2-methylprop-2-enoxy)-N-[2-(3-phenylpropoxy)phenyl]benzamide?
The canonical SMILES for 2-(2-methylprop-2-enoxy)-N-[2-(3-phenylpropoxy)phenyl]benzamide is C=C(C)COc1ccccc1C(=O)Nc1ccccc1OCCCc1ccccc1.
What is the InChIKey of 2-(2-methylprop-2-enoxy)-N-[2-(3-phenylpropoxy)phenyl]benzamide?
The InChIKey is XYTUTCDEFMXJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO3/c1-20(2)19-30-24-16-8-6-14-22(24)26(28)27-23-15-7-9-17-25(23)29-18-10-13-21-11-4-3-5-12-21/h3-9,11-12,14-17H,1,10,13,18-19H2,2H3,(H,27,28).
What are the key properties of 2-(2-methylprop-2-enoxy)-N-[2-(3-phenylpropoxy)phenyl]benzamide?
2-(2-methylprop-2-enoxy)-N-[2-(3-phenylpropoxy)phenyl]benzamide has a molecular weight of 401.51 g/mol, XLogP of 5.91, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoxy)-N-[2-(3-phenylpropoxy)phenyl]benzamide is sourced from PubChem (CID 17131528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).