N-benzoyl-N-[3-[2-[(E)-5-hydroxyhex-2-enyl]-1,3-dioxolan-2-yl]propanoyl]benzamide

C26H29NO6 — CID 11102429

IUPACN-benzoyl-N-[3-[2-[(E)-5-hydroxyhex-2-enyl]-1,3-dioxolan-2-yl]propanoyl]benzamide
SMILESCC(O)C/C=C/CC1(CCC(=O)N(C(=O)c2ccccc2)C(=O)c2ccccc2)OCCO1
InChIInChI=1S/C26H29NO6/c1-20(28)10-8-9-16-26(32-18-19-33-26)17-15-23(29)27(24(30)21-11-4-2-5-12-21)25(31)22-13-6-3-7-14-22/h2-9,11-14,20,28H,10,15-19H2,1H3/b9-8+
InChIKeyFETKGBPCMRCJGW-CMDGGOBGSA-N
MW451.52 g/mol
LogP3.74
Rot. Bonds9

About N-benzoyl-N-[3-[2-[(E)-5-hydroxyhex-2-enyl]-1,3-dioxolan-2-yl]propanoyl]benzamide

N-benzoyl-N-[3-[2-[(E)-5-hydroxyhex-2-enyl]-1,3-dioxolan-2-yl]propanoyl]benzamide (PubChem CID 11102429) has the molecular formula C26H29NO6 and a molecular weight of 451.52 g/mol. Its IUPAC name is N-benzoyl-N-[3-[2-[(E)-5-hydroxyhex-2-enyl]-1,3-dioxolan-2-yl]propanoyl]benzamide.

Molecular Properties

Compound NameN-benzoyl-N-[3-[2-[(E)-5-hydroxyhex-2-enyl]-1,3-dioxolan-2-yl]propanoyl]benzamide
PubChem CID11102429
Molecular FormulaC26H29NO6
Molecular Weight451.52 g/mol
Exact Mass451.20
IUPAC NameN-benzoyl-N-[3-[2-[(E)-5-hydroxyhex-2-enyl]-1,3-dioxolan-2-yl]propanoyl]benzamide
SMILESCC(O)C/C=C/CC1(CCC(=O)N(C(=O)c2ccccc2)C(=O)c2ccccc2)OCCO1
InChIInChI=1S/C26H29NO6/c1-20(28)10-8-9-16-26(32-18-19-33-26)17-15-23(29)27(24(30)21-11-4-2-5-12-21)25(31)22-13-6-3-7-14-22/h2-9,11-14,20,28H,10,15-19H2,1H3/b9-8+
InChIKeyFETKGBPCMRCJGW-CMDGGOBGSA-N
XLogP3.74
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-benzoyl-N-[3-[2-(5-hydroxyhex-2-enyl)-1,3-dioxolan-2-yl]propanoyl]benzamide
CID 85399579
2-[benzyl-[[(4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]amino]-1-phenylethanone
CID 134864327
N-benzyl-N-[[(4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]benzamide
CID 10894322
N-[(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoyl]benzamide
CID 11300722
N-benzoyl-N-[3-[2-[(E)-5-hydroxyhex-1-enyl]-1,3-dioxolan-2-yl]propanoyl]benzamide
CID 11730090

Frequently Asked Questions

What is the IUPAC name of N-benzoyl-N-[3-[2-[(E)-5-hydroxyhex-2-enyl]-1,3-dioxolan-2-yl]propanoyl]benzamide?
The IUPAC name of N-benzoyl-N-[3-[2-[(E)-5-hydroxyhex-2-enyl]-1,3-dioxolan-2-yl]propanoyl]benzamide (CID 11102429) is N-benzoyl-N-[3-[2-[(E)-5-hydroxyhex-2-enyl]-1,3-dioxolan-2-yl]propanoyl]benzamide.
What is the SMILES notation for N-benzoyl-N-[3-[2-[(E)-5-hydroxyhex-2-enyl]-1,3-dioxolan-2-yl]propanoyl]benzamide?
The canonical SMILES for N-benzoyl-N-[3-[2-[(E)-5-hydroxyhex-2-enyl]-1,3-dioxolan-2-yl]propanoyl]benzamide is CC(O)C/C=C/CC1(CCC(=O)N(C(=O)c2ccccc2)C(=O)c2ccccc2)OCCO1.
What is the InChIKey of N-benzoyl-N-[3-[2-[(E)-5-hydroxyhex-2-enyl]-1,3-dioxolan-2-yl]propanoyl]benzamide?
The InChIKey is FETKGBPCMRCJGW-CMDGGOBGSA-N. The full InChI is InChI=1S/C26H29NO6/c1-20(28)10-8-9-16-26(32-18-19-33-26)17-15-23(29)27(24(30)21-11-4-2-5-12-21)25(31)22-13-6-3-7-14-22/h2-9,11-14,20,28H,10,15-19H2,1H3/b9-8+.
What are the key properties of N-benzoyl-N-[3-[2-[(E)-5-hydroxyhex-2-enyl]-1,3-dioxolan-2-yl]propanoyl]benzamide?
N-benzoyl-N-[3-[2-[(E)-5-hydroxyhex-2-enyl]-1,3-dioxolan-2-yl]propanoyl]benzamide has a molecular weight of 451.52 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzoyl-N-[3-[2-[(E)-5-hydroxyhex-2-enyl]-1,3-dioxolan-2-yl]propanoyl]benzamide is sourced from PubChem (CID 11102429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).