N-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-4-methyl-2-propan-2-ylpent-3-enamide

C18H29NO2 — CID 89001655

IUPACN-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-4-methyl-2-propan-2-ylpent-3-enamide
SMILESC=C/C=C\C=C/CNC(=O)C(C=C(C)C)(COC)C(C)C
InChIInChI=1S/C18H29NO2/c1-7-8-9-10-11-12-19-17(20)18(14-21-6,16(4)5)13-15(2)3/h7-11,13,16H,1,12,14H2,2-6H3,(H,19,20)/b9-8-,11-10-
InChIKeyHQZUJZSQISFVAF-XESWYYRISA-N
MW291.44 g/mol
LogP3.66
Rot. Bonds9

About N-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-4-methyl-2-propan-2-ylpent-3-enamide

N-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-4-methyl-2-propan-2-ylpent-3-enamide (PubChem CID 89001655) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-4-methyl-2-propan-2-ylpent-3-enamide.

Molecular Properties

Compound NameN-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-4-methyl-2-propan-2-ylpent-3-enamide
PubChem CID89001655
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-4-methyl-2-propan-2-ylpent-3-enamide
SMILESC=C/C=C\C=C/CNC(=O)C(C=C(C)C)(COC)C(C)C
InChIInChI=1S/C18H29NO2/c1-7-8-9-10-11-12-19-17(20)18(14-21-6,16(4)5)13-15(2)3/h7-11,13,16H,1,12,14H2,2-6H3,(H,19,20)/b9-8-,11-10-
InChIKeyHQZUJZSQISFVAF-XESWYYRISA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-4-methyl-2-propan-2-ylpent-3-enamide?
The IUPAC name of N-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-4-methyl-2-propan-2-ylpent-3-enamide (CID 89001655) is N-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-4-methyl-2-propan-2-ylpent-3-enamide.
What is the SMILES notation for N-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-4-methyl-2-propan-2-ylpent-3-enamide?
The canonical SMILES for N-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-4-methyl-2-propan-2-ylpent-3-enamide is C=C/C=C\C=C/CNC(=O)C(C=C(C)C)(COC)C(C)C.
What is the InChIKey of N-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-4-methyl-2-propan-2-ylpent-3-enamide?
The InChIKey is HQZUJZSQISFVAF-XESWYYRISA-N. The full InChI is InChI=1S/C18H29NO2/c1-7-8-9-10-11-12-19-17(20)18(14-21-6,16(4)5)13-15(2)3/h7-11,13,16H,1,12,14H2,2-6H3,(H,19,20)/b9-8-,11-10-.
What are the key properties of N-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-4-methyl-2-propan-2-ylpent-3-enamide?
N-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-4-methyl-2-propan-2-ylpent-3-enamide has a molecular weight of 291.44 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-hepta-2,4,6-trienyl]-2-(methoxymethyl)-4-methyl-2-propan-2-ylpent-3-enamide is sourced from PubChem (CID 89001655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).