(Z)-N-ethylhept-5-enamide;2-[(E)-5-phenylpent-1-enyl]cyclopentan-1-ol

C25H39NO2 — CID 144501828

IUPAC(Z)-N-ethylhept-5-enamide;2-[(E)-5-phenylpent-1-enyl]cyclopentan-1-ol
SMILESC/C=C\CCCC(=O)NCC.OC1CCCC1/C=C/CCCc1ccccc1
InChIInChI=1S/C16H22O.C9H17NO/c17-16-13-7-12-15(16)11-6-2-5-10-14-8-3-1-4-9-14;1-3-5-6-7-8-9(11)10-4-2/h1,3-4,6,8-9,11,15-17H,2,5,7,10,12-13H2;3,5H,4,6-8H2,1-2H3,(H,10,11)/b11-6+;5-3-
InChIKeyAWMFKTUSKWRPIC-QXYWGVEISA-N
MW385.59 g/mol
LogP5.60
Rot. Bonds10

About (Z)-N-ethylhept-5-enamide;2-[(E)-5-phenylpent-1-enyl]cyclopentan-1-ol

(Z)-N-ethylhept-5-enamide;2-[(E)-5-phenylpent-1-enyl]cyclopentan-1-ol (PubChem CID 144501828) has the molecular formula C25H39NO2 and a molecular weight of 385.59 g/mol. Its IUPAC name is (Z)-N-ethylhept-5-enamide;2-[(E)-5-phenylpent-1-enyl]cyclopentan-1-ol.

Molecular Properties

Compound Name(Z)-N-ethylhept-5-enamide;2-[(E)-5-phenylpent-1-enyl]cyclopentan-1-ol
PubChem CID144501828
Molecular FormulaC25H39NO2
Molecular Weight385.59 g/mol
Exact Mass385.30
IUPAC Name(Z)-N-ethylhept-5-enamide;2-[(E)-5-phenylpent-1-enyl]cyclopentan-1-ol
SMILESC/C=C\CCCC(=O)NCC.OC1CCCC1/C=C/CCCc1ccccc1
InChIInChI=1S/C16H22O.C9H17NO/c17-16-13-7-12-15(16)11-6-2-5-10-14-8-3-1-4-9-14;1-3-5-6-7-8-9(11)10-4-2/h1,3-4,6,8-9,11,15-17H,2,5,7,10,12-13H2;3,5H,4,6-8H2,1-2H3,(H,10,11)/b11-6+;5-3-
InChIKeyAWMFKTUSKWRPIC-QXYWGVEISA-N
XLogP5.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.59
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethylhept-5-enamide;2-[(E)-5-phenylpent-1-enyl]cyclopentan-1-ol?
The IUPAC name of (Z)-N-ethylhept-5-enamide;2-[(E)-5-phenylpent-1-enyl]cyclopentan-1-ol (CID 144501828) is (Z)-N-ethylhept-5-enamide;2-[(E)-5-phenylpent-1-enyl]cyclopentan-1-ol.
What is the SMILES notation for (Z)-N-ethylhept-5-enamide;2-[(E)-5-phenylpent-1-enyl]cyclopentan-1-ol?
The canonical SMILES for (Z)-N-ethylhept-5-enamide;2-[(E)-5-phenylpent-1-enyl]cyclopentan-1-ol is C/C=C\CCCC(=O)NCC.OC1CCCC1/C=C/CCCc1ccccc1.
What is the InChIKey of (Z)-N-ethylhept-5-enamide;2-[(E)-5-phenylpent-1-enyl]cyclopentan-1-ol?
The InChIKey is AWMFKTUSKWRPIC-QXYWGVEISA-N. The full InChI is InChI=1S/C16H22O.C9H17NO/c17-16-13-7-12-15(16)11-6-2-5-10-14-8-3-1-4-9-14;1-3-5-6-7-8-9(11)10-4-2/h1,3-4,6,8-9,11,15-17H,2,5,7,10,12-13H2;3,5H,4,6-8H2,1-2H3,(H,10,11)/b11-6+;5-3-.
What are the key properties of (Z)-N-ethylhept-5-enamide;2-[(E)-5-phenylpent-1-enyl]cyclopentan-1-ol?
(Z)-N-ethylhept-5-enamide;2-[(E)-5-phenylpent-1-enyl]cyclopentan-1-ol has a molecular weight of 385.59 g/mol, XLogP of 5.60, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethylhept-5-enamide;2-[(E)-5-phenylpent-1-enyl]cyclopentan-1-ol is sourced from PubChem (CID 144501828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).