N-(2-methylpropyl)-9-phenylnona-2,4-dienamide

C19H27NO — CID 90802349

IUPACN-(2-methylpropyl)-9-phenylnona-2,4-dienamide
SMILESCC(C)CNC(=O)C=CC=CCCCCc1ccccc1
InChIInChI=1S/C19H27NO/c1-17(2)16-20-19(21)15-11-6-4-3-5-8-12-18-13-9-7-10-14-18/h4,6-7,9-11,13-15,17H,3,5,8,12,16H2,1-2H3,(H,20,21)
InChIKeyYZGDQQSFXCPQEY-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.28
Rot. Bonds9

About N-(2-methylpropyl)-9-phenylnona-2,4-dienamide

N-(2-methylpropyl)-9-phenylnona-2,4-dienamide (PubChem CID 90802349) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-(2-methylpropyl)-9-phenylnona-2,4-dienamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-9-phenylnona-2,4-dienamide
PubChem CID90802349
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-(2-methylpropyl)-9-phenylnona-2,4-dienamide
SMILESCC(C)CNC(=O)C=CC=CCCCCc1ccccc1
InChIInChI=1S/C19H27NO/c1-17(2)16-20-19(21)15-11-6-4-3-5-8-12-18-13-9-7-10-14-18/h4,6-7,9-11,13-15,17H,3,5,8,12,16H2,1-2H3,(H,20,21)
InChIKeyYZGDQQSFXCPQEY-UHFFFAOYSA-N
XLogP4.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-9-phenylnona-2,4-dienamide?
The IUPAC name of N-(2-methylpropyl)-9-phenylnona-2,4-dienamide (CID 90802349) is N-(2-methylpropyl)-9-phenylnona-2,4-dienamide.
What is the SMILES notation for N-(2-methylpropyl)-9-phenylnona-2,4-dienamide?
The canonical SMILES for N-(2-methylpropyl)-9-phenylnona-2,4-dienamide is CC(C)CNC(=O)C=CC=CCCCCc1ccccc1.
What is the InChIKey of N-(2-methylpropyl)-9-phenylnona-2,4-dienamide?
The InChIKey is YZGDQQSFXCPQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-17(2)16-20-19(21)15-11-6-4-3-5-8-12-18-13-9-7-10-14-18/h4,6-7,9-11,13-15,17H,3,5,8,12,16H2,1-2H3,(H,20,21).
What are the key properties of N-(2-methylpropyl)-9-phenylnona-2,4-dienamide?
N-(2-methylpropyl)-9-phenylnona-2,4-dienamide has a molecular weight of 285.43 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-9-phenylnona-2,4-dienamide is sourced from PubChem (CID 90802349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).