N-[(3E,5Z)-6-cyclopentyloxy-5-methoxy-3-methylocta-3,5,7-trienyl]-N-ethylformamide

C18H29NO3 — CID 139399341

IUPACN-[(3E,5Z)-6-cyclopentyloxy-5-methoxy-3-methylocta-3,5,7-trienyl]-N-ethylformamide
SMILESC=C/C(OC1CCCC1)=C(\C=C(/C)CCN(C=O)CC)OC
InChIInChI=1S/C18H29NO3/c1-5-17(22-16-9-7-8-10-16)18(21-4)13-15(3)11-12-19(6-2)14-20/h5,13-14,16H,1,6-12H2,2-4H3/b15-13+,18-17-
InChIKeyVTLVUOXZTVGGLV-CELSGOLJSA-N
MW307.43 g/mol
LogP3.80
Rot. Bonds10

About N-[(3E,5Z)-6-cyclopentyloxy-5-methoxy-3-methylocta-3,5,7-trienyl]-N-ethylformamide

N-[(3E,5Z)-6-cyclopentyloxy-5-methoxy-3-methylocta-3,5,7-trienyl]-N-ethylformamide (PubChem CID 139399341) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is N-[(3E,5Z)-6-cyclopentyloxy-5-methoxy-3-methylocta-3,5,7-trienyl]-N-ethylformamide.

Molecular Properties

Compound NameN-[(3E,5Z)-6-cyclopentyloxy-5-methoxy-3-methylocta-3,5,7-trienyl]-N-ethylformamide
PubChem CID139399341
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC NameN-[(3E,5Z)-6-cyclopentyloxy-5-methoxy-3-methylocta-3,5,7-trienyl]-N-ethylformamide
SMILESC=C/C(OC1CCCC1)=C(\C=C(/C)CCN(C=O)CC)OC
InChIInChI=1S/C18H29NO3/c1-5-17(22-16-9-7-8-10-16)18(21-4)13-15(3)11-12-19(6-2)14-20/h5,13-14,16H,1,6-12H2,2-4H3/b15-13+,18-17-
InChIKeyVTLVUOXZTVGGLV-CELSGOLJSA-N
XLogP3.80
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(3E,5Z)-6-cyclopentyloxy-5-methoxy-3-methylocta-3,5,7-trienyl]-N-ethylformamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z)-6-cyclopentyloxy-5-methoxy-3-methylocta-3,5,7-trienyl]-N-ethylformamide?
The IUPAC name of N-[(3E,5Z)-6-cyclopentyloxy-5-methoxy-3-methylocta-3,5,7-trienyl]-N-ethylformamide (CID 139399341) is N-[(3E,5Z)-6-cyclopentyloxy-5-methoxy-3-methylocta-3,5,7-trienyl]-N-ethylformamide.
What is the SMILES notation for N-[(3E,5Z)-6-cyclopentyloxy-5-methoxy-3-methylocta-3,5,7-trienyl]-N-ethylformamide?
The canonical SMILES for N-[(3E,5Z)-6-cyclopentyloxy-5-methoxy-3-methylocta-3,5,7-trienyl]-N-ethylformamide is C=C/C(OC1CCCC1)=C(\C=C(/C)CCN(C=O)CC)OC.
What is the InChIKey of N-[(3E,5Z)-6-cyclopentyloxy-5-methoxy-3-methylocta-3,5,7-trienyl]-N-ethylformamide?
The InChIKey is VTLVUOXZTVGGLV-CELSGOLJSA-N. The full InChI is InChI=1S/C18H29NO3/c1-5-17(22-16-9-7-8-10-16)18(21-4)13-15(3)11-12-19(6-2)14-20/h5,13-14,16H,1,6-12H2,2-4H3/b15-13+,18-17-.
What are the key properties of N-[(3E,5Z)-6-cyclopentyloxy-5-methoxy-3-methylocta-3,5,7-trienyl]-N-ethylformamide?
N-[(3E,5Z)-6-cyclopentyloxy-5-methoxy-3-methylocta-3,5,7-trienyl]-N-ethylformamide has a molecular weight of 307.43 g/mol, XLogP of 3.80, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z)-6-cyclopentyloxy-5-methoxy-3-methylocta-3,5,7-trienyl]-N-ethylformamide is sourced from PubChem (CID 139399341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).