(2Z,4E)-7-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]octa-2,4-dienamide

C15H26N2O2 — CID 58709447

IUPAC(2Z,4E)-7-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]octa-2,4-dienamide
SMILESCC(C)C/C=C/C=C\C(=O)N[C@@H](C)C(=O)NC(C)C
InChIInChI=1S/C15H26N2O2/c1-11(2)9-7-6-8-10-14(18)17-13(5)15(19)16-12(3)4/h6-8,10-13H,9H2,1-5H3,(H,16,19)(H,17,18)/b7-6+,10-8-/t13-/m0/s1
InChIKeyWYWSZCNBWNNABC-HOHLEBSPSA-N
MW266.38 g/mol
LogP2.17
Rot. Bonds7

About (2Z,4E)-7-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]octa-2,4-dienamide

(2Z,4E)-7-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]octa-2,4-dienamide (PubChem CID 58709447) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (2Z,4E)-7-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]octa-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4E)-7-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]octa-2,4-dienamide
PubChem CID58709447
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(2Z,4E)-7-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]octa-2,4-dienamide
SMILESCC(C)C/C=C/C=C\C(=O)N[C@@H](C)C(=O)NC(C)C
InChIInChI=1S/C15H26N2O2/c1-11(2)9-7-6-8-10-14(18)17-13(5)15(19)16-12(3)4/h6-8,10-13H,9H2,1-5H3,(H,16,19)(H,17,18)/b7-6+,10-8-/t13-/m0/s1
InChIKeyWYWSZCNBWNNABC-HOHLEBSPSA-N
XLogP2.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-propyl-3-amino-1,5-cyclohexadienecarboxamide hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-7-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]octa-2,4-dienamide?
The IUPAC name of (2Z,4E)-7-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]octa-2,4-dienamide (CID 58709447) is (2Z,4E)-7-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]octa-2,4-dienamide.
What is the SMILES notation for (2Z,4E)-7-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]octa-2,4-dienamide?
The canonical SMILES for (2Z,4E)-7-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]octa-2,4-dienamide is CC(C)C/C=C/C=C\C(=O)N[C@@H](C)C(=O)NC(C)C.
What is the InChIKey of (2Z,4E)-7-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]octa-2,4-dienamide?
The InChIKey is WYWSZCNBWNNABC-HOHLEBSPSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11(2)9-7-6-8-10-14(18)17-13(5)15(19)16-12(3)4/h6-8,10-13H,9H2,1-5H3,(H,16,19)(H,17,18)/b7-6+,10-8-/t13-/m0/s1.
What are the key properties of (2Z,4E)-7-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]octa-2,4-dienamide?
(2Z,4E)-7-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]octa-2,4-dienamide has a molecular weight of 266.38 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-7-methyl-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]octa-2,4-dienamide is sourced from PubChem (CID 58709447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).