(Z)-N-[(2S,3E,5E)-7-hydroxy-4,6-dimethylhepta-3,5-dien-2-yl]-2-methoxypent-2-enamide

C15H25NO3 — CID 102137326

IUPAC(Z)-N-[(2S,3E,5E)-7-hydroxy-4,6-dimethylhepta-3,5-dien-2-yl]-2-methoxypent-2-enamide
SMILESCC/C=C(\OC)C(=O)N[C@@H](C)/C=C(C)/C=C(\C)CO
InChIInChI=1S/C15H25NO3/c1-6-7-14(19-5)15(18)16-13(4)9-11(2)8-12(3)10-17/h7-9,13,17H,6,10H2,1-5H3,(H,16,18)/b11-9+,12-8+,14-7-/t13-/m0/s1
InChIKeyBAYXAEOMTFFZTH-JBHMXDMMSA-N
MW267.37 g/mol
LogP2.32
Rot. Bonds7

About (Z)-N-[(2S,3E,5E)-7-hydroxy-4,6-dimethylhepta-3,5-dien-2-yl]-2-methoxypent-2-enamide

(Z)-N-[(2S,3E,5E)-7-hydroxy-4,6-dimethylhepta-3,5-dien-2-yl]-2-methoxypent-2-enamide (PubChem CID 102137326) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (Z)-N-[(2S,3E,5E)-7-hydroxy-4,6-dimethylhepta-3,5-dien-2-yl]-2-methoxypent-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(2S,3E,5E)-7-hydroxy-4,6-dimethylhepta-3,5-dien-2-yl]-2-methoxypent-2-enamide
PubChem CID102137326
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(Z)-N-[(2S,3E,5E)-7-hydroxy-4,6-dimethylhepta-3,5-dien-2-yl]-2-methoxypent-2-enamide
SMILESCC/C=C(\OC)C(=O)N[C@@H](C)/C=C(C)/C=C(\C)CO
InChIInChI=1S/C15H25NO3/c1-6-7-14(19-5)15(18)16-13(4)9-11(2)8-12(3)10-17/h7-9,13,17H,6,10H2,1-5H3,(H,16,18)/b11-9+,12-8+,14-7-/t13-/m0/s1
InChIKeyBAYXAEOMTFFZTH-JBHMXDMMSA-N
XLogP2.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 (Z)-N-[(2S,3E,5E)-7-hydroxy-4,6-dimethylhepta-3,5-dien-2-yl]-2-methoxypent-2-enamide?
The IUPAC name of (Z)-N-[(2S,3E,5E)-7-hydroxy-4,6-dimethylhepta-3,5-dien-2-yl]-2-methoxypent-2-enamide (CID 102137326) is (Z)-N-[(2S,3E,5E)-7-hydroxy-4,6-dimethylhepta-3,5-dien-2-yl]-2-methoxypent-2-enamide.
What is the SMILES notation for (Z)-N-[(2S,3E,5E)-7-hydroxy-4,6-dimethylhepta-3,5-dien-2-yl]-2-methoxypent-2-enamide?
The canonical SMILES for (Z)-N-[(2S,3E,5E)-7-hydroxy-4,6-dimethylhepta-3,5-dien-2-yl]-2-methoxypent-2-enamide is CC/C=C(\OC)C(=O)N[C@@H](C)/C=C(C)/C=C(\C)CO.
What is the InChIKey of (Z)-N-[(2S,3E,5E)-7-hydroxy-4,6-dimethylhepta-3,5-dien-2-yl]-2-methoxypent-2-enamide?
The InChIKey is BAYXAEOMTFFZTH-JBHMXDMMSA-N. The full InChI is InChI=1S/C15H25NO3/c1-6-7-14(19-5)15(18)16-13(4)9-11(2)8-12(3)10-17/h7-9,13,17H,6,10H2,1-5H3,(H,16,18)/b11-9+,12-8+,14-7-/t13-/m0/s1.
What are the key properties of (Z)-N-[(2S,3E,5E)-7-hydroxy-4,6-dimethylhepta-3,5-dien-2-yl]-2-methoxypent-2-enamide?
(Z)-N-[(2S,3E,5E)-7-hydroxy-4,6-dimethylhepta-3,5-dien-2-yl]-2-methoxypent-2-enamide has a molecular weight of 267.37 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2S,3E,5E)-7-hydroxy-4,6-dimethylhepta-3,5-dien-2-yl]-2-methoxypent-2-enamide is sourced from PubChem (CID 102137326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).