(2E,4E)-N-(2-methylpropyl)-9-(1-phenylethoxy)nona-2,4-dienamide

C21H31NO2 — CID 88710784

IUPAC(2E,4E)-N-(2-methylpropyl)-9-(1-phenylethoxy)nona-2,4-dienamide
SMILESCC(C)CNC(=O)/C=C/C=C/CCCCOC(C)c1ccccc1
InChIInChI=1S/C21H31NO2/c1-18(2)17-22-21(23)15-11-6-4-5-7-12-16-24-19(3)20-13-9-8-10-14-20/h4,6,8-11,13-15,18-19H,5,7,12,16-17H2,1-3H3,(H,22,23)/b6-4+,15-11+
InChIKeyMIKCREPFMJUQRC-OKOYHYLBSA-N
MW329.48 g/mol
LogP4.82
Rot. Bonds11

About (2E,4E)-N-(2-methylpropyl)-9-(1-phenylethoxy)nona-2,4-dienamide

(2E,4E)-N-(2-methylpropyl)-9-(1-phenylethoxy)nona-2,4-dienamide (PubChem CID 88710784) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is (2E,4E)-N-(2-methylpropyl)-9-(1-phenylethoxy)nona-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-methylpropyl)-9-(1-phenylethoxy)nona-2,4-dienamide
PubChem CID88710784
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC Name(2E,4E)-N-(2-methylpropyl)-9-(1-phenylethoxy)nona-2,4-dienamide
SMILESCC(C)CNC(=O)/C=C/C=C/CCCCOC(C)c1ccccc1
InChIInChI=1S/C21H31NO2/c1-18(2)17-22-21(23)15-11-6-4-5-7-12-16-24-19(3)20-13-9-8-10-14-20/h4,6,8-11,13-15,18-19H,5,7,12,16-17H2,1-3H3,(H,22,23)/b6-4+,15-11+
InChIKeyMIKCREPFMJUQRC-OKOYHYLBSA-N
XLogP4.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2E,4E)-N-(2-methylpropyl)-9-(1-phenylethoxy)nona-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-methylpropyl)-9-(1-phenylethoxy)nona-2,4-dienamide (CID 88710784) is (2E,4E)-N-(2-methylpropyl)-9-(1-phenylethoxy)nona-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-methylpropyl)-9-(1-phenylethoxy)nona-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-methylpropyl)-9-(1-phenylethoxy)nona-2,4-dienamide is CC(C)CNC(=O)/C=C/C=C/CCCCOC(C)c1ccccc1.
What is the InChIKey of (2E,4E)-N-(2-methylpropyl)-9-(1-phenylethoxy)nona-2,4-dienamide?
The InChIKey is MIKCREPFMJUQRC-OKOYHYLBSA-N. The full InChI is InChI=1S/C21H31NO2/c1-18(2)17-22-21(23)15-11-6-4-5-7-12-16-24-19(3)20-13-9-8-10-14-20/h4,6,8-11,13-15,18-19H,5,7,12,16-17H2,1-3H3,(H,22,23)/b6-4+,15-11+.
What are the key properties of (2E,4E)-N-(2-methylpropyl)-9-(1-phenylethoxy)nona-2,4-dienamide?
(2E,4E)-N-(2-methylpropyl)-9-(1-phenylethoxy)nona-2,4-dienamide has a molecular weight of 329.48 g/mol, XLogP of 4.82, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-methylpropyl)-9-(1-phenylethoxy)nona-2,4-dienamide is sourced from PubChem (CID 88710784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).