N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxy-2-methylpropanamide

C13H21NO2 — CID 144540830

IUPACN-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxy-2-methylpropanamide
SMILESC=C/C=C\C(=C/C)CNC(=O)C(C)COC
InChIInChI=1S/C13H21NO2/c1-5-7-8-12(6-2)9-14-13(15)11(3)10-16-4/h5-8,11H,1,9-10H2,2-4H3,(H,14,15)/b8-7-,12-6+
InChIKeyROIUSVPEZJROGP-HRZQEMGZSA-N
MW223.32 g/mol
LogP2.07
Rot. Bonds7

About N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxy-2-methylpropanamide

N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxy-2-methylpropanamide (PubChem CID 144540830) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxy-2-methylpropanamide
PubChem CID144540830
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxy-2-methylpropanamide
SMILESC=C/C=C\C(=C/C)CNC(=O)C(C)COC
InChIInChI=1S/C13H21NO2/c1-5-7-8-12(6-2)9-14-13(15)11(3)10-16-4/h5-8,11H,1,9-10H2,2-4H3,(H,14,15)/b8-7-,12-6+
InChIKeyROIUSVPEZJROGP-HRZQEMGZSA-N
XLogP2.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxy-2-methylpropanamide?
The IUPAC name of N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxy-2-methylpropanamide (CID 144540830) is N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxy-2-methylpropanamide?
The canonical SMILES for N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxy-2-methylpropanamide is C=C/C=C\C(=C/C)CNC(=O)C(C)COC.
What is the InChIKey of N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxy-2-methylpropanamide?
The InChIKey is ROIUSVPEZJROGP-HRZQEMGZSA-N. The full InChI is InChI=1S/C13H21NO2/c1-5-7-8-12(6-2)9-14-13(15)11(3)10-16-4/h5-8,11H,1,9-10H2,2-4H3,(H,14,15)/b8-7-,12-6+.
What are the key properties of N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxy-2-methylpropanamide?
N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxy-2-methylpropanamide has a molecular weight of 223.32 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxy-2-methylpropanamide is sourced from PubChem (CID 144540830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).