(9Z,12Z)-2,2-diphenyloctadeca-9,12-dienamide

C30H41NO — CID 122703905

IUPAC(9Z,12Z)-2,2-diphenyloctadeca-9,12-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCC(C(N)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-30(29(31)32,27-22-17-15-18-23-27)28-24-19-16-20-25-28/h6-7,9-10,15-20,22-25H,2-5,8,11-14,21,26H2,1H3,(H2,31,32)/b7-6-,10-9-
InChIKeyZGCWIXDVFBCRQH-HZJYTTRNSA-N
MW431.66 g/mol
LogP7.88
Rot. Bonds16

About (9Z,12Z)-2,2-diphenyloctadeca-9,12-dienamide

(9Z,12Z)-2,2-diphenyloctadeca-9,12-dienamide (PubChem CID 122703905) has the molecular formula C30H41NO and a molecular weight of 431.66 g/mol. Its IUPAC name is (9Z,12Z)-2,2-diphenyloctadeca-9,12-dienamide.

Molecular Properties

Compound Name(9Z,12Z)-2,2-diphenyloctadeca-9,12-dienamide
PubChem CID122703905
Molecular FormulaC30H41NO
Molecular Weight431.66 g/mol
Exact Mass431.32
IUPAC Name(9Z,12Z)-2,2-diphenyloctadeca-9,12-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCC(C(N)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-30(29(31)32,27-22-17-15-18-23-27)28-24-19-16-20-25-28/h6-7,9-10,15-20,22-25H,2-5,8,11-14,21,26H2,1H3,(H2,31,32)/b7-6-,10-9-
InChIKeyZGCWIXDVFBCRQH-HZJYTTRNSA-N
XLogP7.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.66
LogP ≤ 57.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2,2-diphenylhexanamide;hydrochloride
CID 142429226
(11Z,14Z)-2-amino-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienoic acid
CID 146620095
(Z)-2,16-dimethyl-2,16-diphenylheptadec-8-enedioic acid
CID 137383362
2-bromo-2-phenylheptanamide
CID 57012582
2,2-dimethylicos-11-enamide
CID 57244584
2-methyl-2-octadeca-9,12-dienylpropanedioic acid
CID 173462523
2-phenyl-2-propan-2-yloctanamide
CID 141169465
(Z)-N-(2-phenylpropan-2-yl)octadec-9-enamide
CID 174358193
2-methyl-2-phenyldecanoic acid
CID 154177551
2-methyl-2-phenylnonadecanoic acid
CID 140988291
benzyl (9Z,12Z)-octadeca-9,12-dienoate
CID 5368290
N-(2-phenylpropan-2-yl)octadec-9-enamide;hydrochloride
CID 173172473

Frequently Asked Questions

What is the IUPAC name of (9Z,12Z)-2,2-diphenyloctadeca-9,12-dienamide?
The IUPAC name of (9Z,12Z)-2,2-diphenyloctadeca-9,12-dienamide (CID 122703905) is (9Z,12Z)-2,2-diphenyloctadeca-9,12-dienamide.
What is the SMILES notation for (9Z,12Z)-2,2-diphenyloctadeca-9,12-dienamide?
The canonical SMILES for (9Z,12Z)-2,2-diphenyloctadeca-9,12-dienamide is CCCCC/C=C\C/C=C\CCCCCCC(C(N)=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (9Z,12Z)-2,2-diphenyloctadeca-9,12-dienamide?
The InChIKey is ZGCWIXDVFBCRQH-HZJYTTRNSA-N. The full InChI is InChI=1S/C30H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-30(29(31)32,27-22-17-15-18-23-27)28-24-19-16-20-25-28/h6-7,9-10,15-20,22-25H,2-5,8,11-14,21,26H2,1H3,(H2,31,32)/b7-6-,10-9-.
What are the key properties of (9Z,12Z)-2,2-diphenyloctadeca-9,12-dienamide?
(9Z,12Z)-2,2-diphenyloctadeca-9,12-dienamide has a molecular weight of 431.66 g/mol, XLogP of 7.88, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z)-2,2-diphenyloctadeca-9,12-dienamide is sourced from PubChem (CID 122703905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).