N-[4-[(E)-2-phenylethenyl]phenyl]dodecanamide

C26H35NO — CID 127035783

IUPACN-[4-[(E)-2-phenylethenyl]phenyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C26H35NO/c1-2-3-4-5-6-7-8-9-13-16-26(28)27-25-21-19-24(20-22-25)18-17-23-14-11-10-12-15-23/h10-12,14-15,17-22H,2-9,13,16H2,1H3,(H,27,28)/b18-17+
InChIKeySTZQHEVZBQHBED-ISLYRVAYSA-N
MW377.57 g/mol
LogP7.72
Rot. Bonds13

About N-[4-[(E)-2-phenylethenyl]phenyl]dodecanamide

N-[4-[(E)-2-phenylethenyl]phenyl]dodecanamide (PubChem CID 127035783) has the molecular formula C26H35NO and a molecular weight of 377.57 g/mol. Its IUPAC name is N-[4-[(E)-2-phenylethenyl]phenyl]dodecanamide.

Molecular Properties

Compound NameN-[4-[(E)-2-phenylethenyl]phenyl]dodecanamide
PubChem CID127035783
Molecular FormulaC26H35NO
Molecular Weight377.57 g/mol
Exact Mass377.27
IUPAC NameN-[4-[(E)-2-phenylethenyl]phenyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C26H35NO/c1-2-3-4-5-6-7-8-9-13-16-26(28)27-25-21-19-24(20-22-25)18-17-23-14-11-10-12-15-23/h10-12,14-15,17-22H,2-9,13,16H2,1H3,(H,27,28)/b18-17+
InChIKeySTZQHEVZBQHBED-ISLYRVAYSA-N
XLogP7.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.57
LogP ≤ 57.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-[4-(heptanoylamino)phenyl]benzamide
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5-oxo-N-phenylheptadecanamide
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formamide;N-phenylheptanamide
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4-(dodecanoylamino)-N-phenylbenzamide
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N-(3-phenylprop-2-enyl)hexanamide
CID 54485378
(Z)-N-phenyloctadec-9-enamide
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N-phenyldocos-13-enamide
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CID 132540479

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-phenylethenyl]phenyl]dodecanamide?
The IUPAC name of N-[4-[(E)-2-phenylethenyl]phenyl]dodecanamide (CID 127035783) is N-[4-[(E)-2-phenylethenyl]phenyl]dodecanamide.
What is the SMILES notation for N-[4-[(E)-2-phenylethenyl]phenyl]dodecanamide?
The canonical SMILES for N-[4-[(E)-2-phenylethenyl]phenyl]dodecanamide is CCCCCCCCCCCC(=O)Nc1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of N-[4-[(E)-2-phenylethenyl]phenyl]dodecanamide?
The InChIKey is STZQHEVZBQHBED-ISLYRVAYSA-N. The full InChI is InChI=1S/C26H35NO/c1-2-3-4-5-6-7-8-9-13-16-26(28)27-25-21-19-24(20-22-25)18-17-23-14-11-10-12-15-23/h10-12,14-15,17-22H,2-9,13,16H2,1H3,(H,27,28)/b18-17+.
What are the key properties of N-[4-[(E)-2-phenylethenyl]phenyl]dodecanamide?
N-[4-[(E)-2-phenylethenyl]phenyl]dodecanamide has a molecular weight of 377.57 g/mol, XLogP of 7.72, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-phenylethenyl]phenyl]dodecanamide is sourced from PubChem (CID 127035783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).