3-methoxy-2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]propanamide

C13H21NO2 — CID 89425985

IUPAC3-methoxy-2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]propanamide
SMILESC=C/C=C\C=C(/C)CNC(=O)C(C)COC
InChIInChI=1S/C13H21NO2/c1-5-6-7-8-11(2)9-14-13(15)12(3)10-16-4/h5-8,12H,1,9-10H2,2-4H3,(H,14,15)/b7-6-,11-8+
InChIKeyPXESJLLGHAYWST-BQGCWICQSA-N
MW223.32 g/mol
LogP2.07
Rot. Bonds7

About 3-methoxy-2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]propanamide

3-methoxy-2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]propanamide (PubChem CID 89425985) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-methoxy-2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]propanamide.

Molecular Properties

Compound Name3-methoxy-2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]propanamide
PubChem CID89425985
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-methoxy-2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]propanamide
SMILESC=C/C=C\C=C(/C)CNC(=O)C(C)COC
InChIInChI=1S/C13H21NO2/c1-5-6-7-8-11(2)9-14-13(15)12(3)10-16-4/h5-8,12H,1,9-10H2,2-4H3,(H,14,15)/b7-6-,11-8+
InChIKeyPXESJLLGHAYWST-BQGCWICQSA-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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Related Compounds

3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide
CID 143690454
N-hexa-2,4-dienyl-2-methylpropanamide
CID 57034461
3-methoxy-N-prop-2-enylpropanamide
CID 62949065
N-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-2,4-dimethylpent-3-enamide
CID 89119098
N-[(2E,4Z)-2-methylhexa-2,4-dienyl]propanamide
CID 89156158
3-methoxy-2-methyl-N-[(Z)-2-methylidenepent-3-enyl]propanamide
CID 90131911
3-methoxy-2-methyl-N-(2-methylidenepent-3-enyl)propanamide
CID 123737644
2-amino-3-methoxy-N-(2-methylhexa-2,4-dienyl)propanamide
CID 123913790
N-(cyclohexa-1,5-dien-1-ylmethyl)-3-methoxypropanamide
CID 123993882
acetamide;3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide
CID 143690453
N-[(2E)-2-ethenylpenta-2,4-dienyl]-3-methoxypropanamide
CID 144227928
(2R)-N-(cyclohexa-1,5-dien-1-ylmethyl)-3-methoxy-2-methylpropanamide
CID 144232896

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]propanamide?
The IUPAC name of 3-methoxy-2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]propanamide (CID 89425985) is 3-methoxy-2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]propanamide.
What is the SMILES notation for 3-methoxy-2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]propanamide?
The canonical SMILES for 3-methoxy-2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]propanamide is C=C/C=C\C=C(/C)CNC(=O)C(C)COC.
What is the InChIKey of 3-methoxy-2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]propanamide?
The InChIKey is PXESJLLGHAYWST-BQGCWICQSA-N. The full InChI is InChI=1S/C13H21NO2/c1-5-6-7-8-11(2)9-14-13(15)12(3)10-16-4/h5-8,12H,1,9-10H2,2-4H3,(H,14,15)/b7-6-,11-8+.
What are the key properties of 3-methoxy-2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]propanamide?
3-methoxy-2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]propanamide 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 3-methoxy-2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]propanamide is sourced from PubChem (CID 89425985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).