(2E,4E)-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide

C25H34N2O2 — CID 19898632

IUPAC(2E,4E)-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide
SMILESCC(C)CNC(=O)/C=C/C=C/CCCCCCCOc1ccc2ccccc2n1
InChIInChI=1S/C25H34N2O2/c1-21(2)20-26-24(28)16-10-8-6-4-3-5-7-9-13-19-29-25-18-17-22-14-11-12-15-23(22)27-25/h6,8,10-12,14-18,21H,3-5,7,9,13,19-20H2,1-2H3,(H,26,28)/b8-6+,16-10+
InChIKeyFKQMESAEZDSYMG-XOBDNCQPSA-N
MW394.56 g/mol
LogP5.84
Rot. Bonds13

About (2E,4E)-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide

(2E,4E)-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide (PubChem CID 19898632) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is (2E,4E)-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide
PubChem CID19898632
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name(2E,4E)-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide
SMILESCC(C)CNC(=O)/C=C/C=C/CCCCCCCOc1ccc2ccccc2n1
InChIInChI=1S/C25H34N2O2/c1-21(2)20-26-24(28)16-10-8-6-4-3-5-7-9-13-19-29-25-18-17-22-14-11-12-15-23(22)27-25/h6,8,10-12,14-18,21H,3-5,7,9,13,19-20H2,1-2H3,(H,26,28)/b8-6+,16-10+
InChIKeyFKQMESAEZDSYMG-XOBDNCQPSA-N
XLogP5.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze (2E,4E)-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienethioamide
CID 54155202
(2E,4Z)-4-fluoro-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide
CID 22843999
(2E,4E)-N-(2-methylpropyl)-11-naphthalen-1-yloxyundeca-2,4-dienamide
CID 88665225
(2E,4E)-12-(2-chloropyrimidin-4-yl)oxy-N-(2-methylpropyl)dodeca-2,4-dienamide
CID 18946531
2,4-difluoro-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide
CID 54230906
9-(7-fluoronaphthalen-1-yl)oxy-N-(2-methylpropyl)nona-2,4-dienamide
CID 173408172
(2E,4E)-9-(7-fluoronaphthalen-1-yl)oxy-N-(2-methylpropyl)nona-2,4-dienamide
CID 88665419
(2E,4E)-N-(2-methylpropyl)-9-(1-phenylethoxy)nona-2,4-dienamide
CID 88710784
3-methyl-12-quinolin-2-yloxydodeca-2,4-dienamide
CID 57001868
(2E,4E)-N-(2-methylpropyl)-8-naphthalen-2-ylocta-2,4-dienamide
CID 88635219
N-(2-methylpropyl)-9-phenylnona-2,4-dienamide
CID 90802349
methyl (2Z,4Z)-2,4-difluoro-12-quinolin-2-yloxydodeca-2,4-dienoate
CID 86745843

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide (CID 19898632) is (2E,4E)-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide is CC(C)CNC(=O)/C=C/C=C/CCCCCCCOc1ccc2ccccc2n1.
What is the InChIKey of (2E,4E)-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide?
The InChIKey is FKQMESAEZDSYMG-XOBDNCQPSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-21(2)20-26-24(28)16-10-8-6-4-3-5-7-9-13-19-29-25-18-17-22-14-11-12-15-23(22)27-25/h6,8,10-12,14-18,21H,3-5,7,9,13,19-20H2,1-2H3,(H,26,28)/b8-6+,16-10+.
What are the key properties of (2E,4E)-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide?
(2E,4E)-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide has a molecular weight of 394.56 g/mol, XLogP of 5.84, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide is sourced from PubChem (CID 19898632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).