N-(14-methyl-8,13-dimethylidene-9-propylpentadec-14-en-4-yl)acetamide

C23H41NO — CID 155036913

IUPACN-(14-methyl-8,13-dimethylidene-9-propylpentadec-14-en-4-yl)acetamide
SMILESC=C(C)C(=C)CCCC(CCC)C(=C)CCCC(CCC)NC(C)=O
InChIInChI=1S/C23H41NO/c1-8-12-22(16-10-14-19(5)18(3)4)20(6)15-11-17-23(13-9-2)24-21(7)25/h22-23H,3,5-6,8-17H2,1-2,4,7H3,(H,24,25)
InChIKeyGFFYZWOYZPIQOD-UHFFFAOYSA-N
MW347.59 g/mol
LogP6.74
Rot. Bonds15

About N-(14-methyl-8,13-dimethylidene-9-propylpentadec-14-en-4-yl)acetamide

N-(14-methyl-8,13-dimethylidene-9-propylpentadec-14-en-4-yl)acetamide (PubChem CID 155036913) has the molecular formula C23H41NO and a molecular weight of 347.59 g/mol. Its IUPAC name is N-(14-methyl-8,13-dimethylidene-9-propylpentadec-14-en-4-yl)acetamide.

Molecular Properties

Compound NameN-(14-methyl-8,13-dimethylidene-9-propylpentadec-14-en-4-yl)acetamide
PubChem CID155036913
Molecular FormulaC23H41NO
Molecular Weight347.59 g/mol
Exact Mass347.32
IUPAC NameN-(14-methyl-8,13-dimethylidene-9-propylpentadec-14-en-4-yl)acetamide
SMILESC=C(C)C(=C)CCCC(CCC)C(=C)CCCC(CCC)NC(C)=O
InChIInChI=1S/C23H41NO/c1-8-12-22(16-10-14-19(5)18(3)4)20(6)15-11-17-23(13-9-2)24-21(7)25/h22-23H,3,5-6,8-17H2,1-2,4,7H3,(H,24,25)
InChIKeyGFFYZWOYZPIQOD-UHFFFAOYSA-N
XLogP6.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.59
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(14-methyl-8,13-dimethylidene-9-propylpentadec-14-en-4-yl)acetamide?
The IUPAC name of N-(14-methyl-8,13-dimethylidene-9-propylpentadec-14-en-4-yl)acetamide (CID 155036913) is N-(14-methyl-8,13-dimethylidene-9-propylpentadec-14-en-4-yl)acetamide.
What is the SMILES notation for N-(14-methyl-8,13-dimethylidene-9-propylpentadec-14-en-4-yl)acetamide?
The canonical SMILES for N-(14-methyl-8,13-dimethylidene-9-propylpentadec-14-en-4-yl)acetamide is C=C(C)C(=C)CCCC(CCC)C(=C)CCCC(CCC)NC(C)=O.
What is the InChIKey of N-(14-methyl-8,13-dimethylidene-9-propylpentadec-14-en-4-yl)acetamide?
The InChIKey is GFFYZWOYZPIQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO/c1-8-12-22(16-10-14-19(5)18(3)4)20(6)15-11-17-23(13-9-2)24-21(7)25/h22-23H,3,5-6,8-17H2,1-2,4,7H3,(H,24,25).
What are the key properties of N-(14-methyl-8,13-dimethylidene-9-propylpentadec-14-en-4-yl)acetamide?
N-(14-methyl-8,13-dimethylidene-9-propylpentadec-14-en-4-yl)acetamide has a molecular weight of 347.59 g/mol, XLogP of 6.74, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(14-methyl-8,13-dimethylidene-9-propylpentadec-14-en-4-yl)acetamide is sourced from PubChem (CID 155036913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).