N-[(4Z)-3-cyclopentyloxyhepta-4,6-dienyl]-N-methylpropanamide

C16H27NO2 — CID 89073730

IUPACN-[(4Z)-3-cyclopentyloxyhepta-4,6-dienyl]-N-methylpropanamide
SMILESC=C/C=C\C(CCN(C)C(=O)CC)OC1CCCC1
InChIInChI=1S/C16H27NO2/c1-4-6-9-15(19-14-10-7-8-11-14)12-13-17(3)16(18)5-2/h4,6,9,14-15H,1,5,7-8,10-13H2,2-3H3/b9-6-
InChIKeyVVYZQYRXJKOGEI-TWGQIWQCSA-N
MW265.40 g/mol
LogP3.31
Rot. Bonds8

About N-[(4Z)-3-cyclopentyloxyhepta-4,6-dienyl]-N-methylpropanamide

N-[(4Z)-3-cyclopentyloxyhepta-4,6-dienyl]-N-methylpropanamide (PubChem CID 89073730) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(4Z)-3-cyclopentyloxyhepta-4,6-dienyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(4Z)-3-cyclopentyloxyhepta-4,6-dienyl]-N-methylpropanamide
PubChem CID89073730
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[(4Z)-3-cyclopentyloxyhepta-4,6-dienyl]-N-methylpropanamide
SMILESC=C/C=C\C(CCN(C)C(=O)CC)OC1CCCC1
InChIInChI=1S/C16H27NO2/c1-4-6-9-15(19-14-10-7-8-11-14)12-13-17(3)16(18)5-2/h4,6,9,14-15H,1,5,7-8,10-13H2,2-3H3/b9-6-
InChIKeyVVYZQYRXJKOGEI-TWGQIWQCSA-N
XLogP3.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-N,N-diethyl-4-tetrahydro-2-furanyl-3-butenamide
CID 24977898
2-(2,5-Dihydrofuran-2-yl)-N,N-diethylacetamide
CID 71374262
N-[(3E,5Z)-6-cyclopentyloxy-5-methoxy-3-methylocta-3,5,7-trienyl]-N-ethylformamide
CID 139399341
1-[(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-dien-5-yl]ethanone
CID 144515554

Frequently Asked Questions

What is the IUPAC name of N-[(4Z)-3-cyclopentyloxyhepta-4,6-dienyl]-N-methylpropanamide?
The IUPAC name of N-[(4Z)-3-cyclopentyloxyhepta-4,6-dienyl]-N-methylpropanamide (CID 89073730) is N-[(4Z)-3-cyclopentyloxyhepta-4,6-dienyl]-N-methylpropanamide.
What is the SMILES notation for N-[(4Z)-3-cyclopentyloxyhepta-4,6-dienyl]-N-methylpropanamide?
The canonical SMILES for N-[(4Z)-3-cyclopentyloxyhepta-4,6-dienyl]-N-methylpropanamide is C=C/C=C\C(CCN(C)C(=O)CC)OC1CCCC1.
What is the InChIKey of N-[(4Z)-3-cyclopentyloxyhepta-4,6-dienyl]-N-methylpropanamide?
The InChIKey is VVYZQYRXJKOGEI-TWGQIWQCSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-6-9-15(19-14-10-7-8-11-14)12-13-17(3)16(18)5-2/h4,6,9,14-15H,1,5,7-8,10-13H2,2-3H3/b9-6-.
What are the key properties of N-[(4Z)-3-cyclopentyloxyhepta-4,6-dienyl]-N-methylpropanamide?
N-[(4Z)-3-cyclopentyloxyhepta-4,6-dienyl]-N-methylpropanamide has a molecular weight of 265.40 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z)-3-cyclopentyloxyhepta-4,6-dienyl]-N-methylpropanamide is sourced from PubChem (CID 89073730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).