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

C25H25NO3 — CID 17131462

IUPACN-[2-(3-phenylpropoxy)phenyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccccc2OCCCc2ccccc2)cc1
InChIInChI=1S/C25H25NO3/c1-2-18-28-22-16-14-21(15-17-22)25(27)26-23-12-6-7-13-24(23)29-19-8-11-20-9-4-3-5-10-20/h2-7,9-10,12-17H,1,8,11,18-19H2,(H,26,27)
InChIKeyIWXFZFHZTMNWLV-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.52
Rot. Bonds10

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

N-[2-(3-phenylpropoxy)phenyl]-4-prop-2-enoxybenzamide (PubChem CID 17131462) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[2-(3-phenylpropoxy)phenyl]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[2-(3-phenylpropoxy)phenyl]-4-prop-2-enoxybenzamide
PubChem CID17131462
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC NameN-[2-(3-phenylpropoxy)phenyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccccc2OCCCc2ccccc2)cc1
InChIInChI=1S/C25H25NO3/c1-2-18-28-22-16-14-21(15-17-22)25(27)26-23-12-6-7-13-24(23)29-19-8-11-20-9-4-3-5-10-20/h2-7,9-10,12-17H,1,8,11,18-19H2,(H,26,27)
InChIKeyIWXFZFHZTMNWLV-UHFFFAOYSA-N
XLogP5.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.52
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

4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131440
N-[2-(3-phenylpropoxy)phenyl]-2-(4-prop-2-enoxyanilino)acetamide
CID 54821479
4-phenyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097892
4-(2-methoxyethoxy)-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide
CID 17131623
4-(2-phenylethoxy)-N-[2-[[4-(2-phenylethoxy)benzoyl]amino]phenyl]benzamide
CID 4957348
N-benzyl-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 4945203
N-[2-(2-phenoxyethoxy)phenyl]-4-phenylbenzamide
CID 17130808
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
4-tert-butyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097960
N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518
2-(2-phenoxyethoxy)-N-(2-prop-2-enoxyphenyl)benzamide
CID 17098022
3-bromo-N-[2-(3-phenylpropoxy)phenyl]-4-propoxybenzamide
CID 17131493

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenylpropoxy)phenyl]-4-prop-2-enoxybenzamide?
The IUPAC name of N-[2-(3-phenylpropoxy)phenyl]-4-prop-2-enoxybenzamide (CID 17131462) is N-[2-(3-phenylpropoxy)phenyl]-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[2-(3-phenylpropoxy)phenyl]-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[2-(3-phenylpropoxy)phenyl]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)Nc2ccccc2OCCCc2ccccc2)cc1.
What is the InChIKey of N-[2-(3-phenylpropoxy)phenyl]-4-prop-2-enoxybenzamide?
The InChIKey is IWXFZFHZTMNWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-2-18-28-22-16-14-21(15-17-22)25(27)26-23-12-6-7-13-24(23)29-19-8-11-20-9-4-3-5-10-20/h2-7,9-10,12-17H,1,8,11,18-19H2,(H,26,27).
What are the key properties of N-[2-(3-phenylpropoxy)phenyl]-4-prop-2-enoxybenzamide?
N-[2-(3-phenylpropoxy)phenyl]-4-prop-2-enoxybenzamide has a molecular weight of 387.48 g/mol, XLogP of 5.52, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenylpropoxy)phenyl]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 17131462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).