(E)-6-(4-tert-butylphenyl)-6-[6-oxo-5-(3-phenylpropyl)-1H-pyridin-2-yl]hex-5-enamide

C30H36N2O2 — CID 70836326

IUPAC(E)-6-(4-tert-butylphenyl)-6-[6-oxo-5-(3-phenylpropyl)-1H-pyridin-2-yl]hex-5-enamide
SMILESCC(C)(C)c1ccc(/C(=C\CCCC(N)=O)c2ccc(CCCc3ccccc3)c(=O)[nH]2)cc1
InChIInChI=1S/C30H36N2O2/c1-30(2,3)25-19-16-23(17-20-25)26(14-7-8-15-28(31)33)27-21-18-24(29(34)32-27)13-9-12-22-10-5-4-6-11-22/h4-6,10-11,14,16-21H,7-9,12-13,15H2,1-3H3,(H2,31,33)(H,32,34)/b26-14+
InChIKeyWKIKNHNSVCRFPX-VULFUBBASA-N
MW456.63 g/mol
LogP5.93
Rot. Bonds10

About (E)-6-(4-tert-butylphenyl)-6-[6-oxo-5-(3-phenylpropyl)-1H-pyridin-2-yl]hex-5-enamide

(E)-6-(4-tert-butylphenyl)-6-[6-oxo-5-(3-phenylpropyl)-1H-pyridin-2-yl]hex-5-enamide (PubChem CID 70836326) has the molecular formula C30H36N2O2 and a molecular weight of 456.63 g/mol. Its IUPAC name is (E)-6-(4-tert-butylphenyl)-6-[6-oxo-5-(3-phenylpropyl)-1H-pyridin-2-yl]hex-5-enamide.

Molecular Properties

Compound Name(E)-6-(4-tert-butylphenyl)-6-[6-oxo-5-(3-phenylpropyl)-1H-pyridin-2-yl]hex-5-enamide
PubChem CID70836326
Molecular FormulaC30H36N2O2
Molecular Weight456.63 g/mol
Exact Mass456.28
IUPAC Name(E)-6-(4-tert-butylphenyl)-6-[6-oxo-5-(3-phenylpropyl)-1H-pyridin-2-yl]hex-5-enamide
SMILESCC(C)(C)c1ccc(/C(=C\CCCC(N)=O)c2ccc(CCCc3ccccc3)c(=O)[nH]2)cc1
InChIInChI=1S/C30H36N2O2/c1-30(2,3)25-19-16-23(17-20-25)26(14-7-8-15-28(31)33)27-21-18-24(29(34)32-27)13-9-12-22-10-5-4-6-11-22/h4-6,10-11,14,16-21H,7-9,12-13,15H2,1-3H3,(H2,31,33)(H,32,34)/b26-14+
InChIKeyWKIKNHNSVCRFPX-VULFUBBASA-N
XLogP5.93
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.63
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-6-(4-tert-butylphenyl)-6-[6-oxo-5-(3-phenylpropyl)-1H-pyridin-2-yl]hex-5-enamide with MolForge

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Related Compounds

4-(4-tert-butylphenyl)butanamide
CID 20619639
6-[(Z)-1-(4-tert-butylphenyl)-4-pyrrolidin-1-ylbut-1-enyl]-3-chloro-1H-pyridin-2-one
CID 67397661
1-(4-tert-butylphenyl)-5-phenylpentan-3-one
CID 71658450
5-benzyl-6-oxo-1H-pyridine-2-carboxylic acid
CID 69044636
7-[5-(3-phenylpropyl)thiophen-2-yl]heptanamide
CID 15667483
(2Z)-2-pentylidene-8-phenyloctanamide
CID 118453451
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 108536427
carbonic acid;3-phenylpropanamide
CID 174965682
2,2-dimethyl-7-phenylheptan-3-one
CID 13371233
4-(4-tert-butylphenyl)butanethioamide
CID 83928746
7-[(2R,3S)-1,3-dihydroxy-2-(1-methoxy-5-phenylpent-1-enyl)cyclopentyl]hept-5-enamide
CID 57012817
(E)-2-methyl-8-phenyloct-2-enoic acid
CID 66912442

Frequently Asked Questions

What is the IUPAC name of (E)-6-(4-tert-butylphenyl)-6-[6-oxo-5-(3-phenylpropyl)-1H-pyridin-2-yl]hex-5-enamide?
The IUPAC name of (E)-6-(4-tert-butylphenyl)-6-[6-oxo-5-(3-phenylpropyl)-1H-pyridin-2-yl]hex-5-enamide (CID 70836326) is (E)-6-(4-tert-butylphenyl)-6-[6-oxo-5-(3-phenylpropyl)-1H-pyridin-2-yl]hex-5-enamide.
What is the SMILES notation for (E)-6-(4-tert-butylphenyl)-6-[6-oxo-5-(3-phenylpropyl)-1H-pyridin-2-yl]hex-5-enamide?
The canonical SMILES for (E)-6-(4-tert-butylphenyl)-6-[6-oxo-5-(3-phenylpropyl)-1H-pyridin-2-yl]hex-5-enamide is CC(C)(C)c1ccc(/C(=C\CCCC(N)=O)c2ccc(CCCc3ccccc3)c(=O)[nH]2)cc1.
What is the InChIKey of (E)-6-(4-tert-butylphenyl)-6-[6-oxo-5-(3-phenylpropyl)-1H-pyridin-2-yl]hex-5-enamide?
The InChIKey is WKIKNHNSVCRFPX-VULFUBBASA-N. The full InChI is InChI=1S/C30H36N2O2/c1-30(2,3)25-19-16-23(17-20-25)26(14-7-8-15-28(31)33)27-21-18-24(29(34)32-27)13-9-12-22-10-5-4-6-11-22/h4-6,10-11,14,16-21H,7-9,12-13,15H2,1-3H3,(H2,31,33)(H,32,34)/b26-14+.
What are the key properties of (E)-6-(4-tert-butylphenyl)-6-[6-oxo-5-(3-phenylpropyl)-1H-pyridin-2-yl]hex-5-enamide?
(E)-6-(4-tert-butylphenyl)-6-[6-oxo-5-(3-phenylpropyl)-1H-pyridin-2-yl]hex-5-enamide has a molecular weight of 456.63 g/mol, XLogP of 5.93, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(4-tert-butylphenyl)-6-[6-oxo-5-(3-phenylpropyl)-1H-pyridin-2-yl]hex-5-enamide is sourced from PubChem (CID 70836326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).