(5Z,8Z,11Z,14Z)-20-(furan-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide

C27H41NO3 — CID 44563289

IUPAC(5Z,8Z,11Z,14Z)-20-(furan-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide
SMILESC[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCc1ccco1
InChIInChI=1S/C27H41NO3/c1-25(24-29)28-27(30)22-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-20-26-21-19-23-31-26/h2-3,6-9,12,14,19,21,23,25,29H,4-5,10-11,13,15-18,20,22,24H2,1H3,(H,28,30)/b3-2-,8-6-,9-7-,14-12-/t25-/m1/s1
InChIKeyOJPRRHVDGAPBDL-BXMGUHIDSA-N
MW427.63 g/mol
LogP6.44
Rot. Bonds18

About (5Z,8Z,11Z,14Z)-20-(furan-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-20-(furan-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide (PubChem CID 44563289) has the molecular formula C27H41NO3 and a molecular weight of 427.63 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-20-(furan-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-20-(furan-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide
PubChem CID44563289
Molecular FormulaC27H41NO3
Molecular Weight427.63 g/mol
Exact Mass427.31
IUPAC Name(5Z,8Z,11Z,14Z)-20-(furan-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide
SMILESC[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCc1ccco1
InChIInChI=1S/C27H41NO3/c1-25(24-29)28-27(30)22-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-20-26-21-19-23-31-26/h2-3,6-9,12,14,19,21,23,25,29H,4-5,10-11,13,15-18,20,22,24H2,1H3,(H,28,30)/b3-2-,8-6-,9-7-,14-12-/t25-/m1/s1
InChIKeyOJPRRHVDGAPBDL-BXMGUHIDSA-N
XLogP6.44
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.63
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (5Z,8Z,11Z,14Z)-20-(furan-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-20-(furan-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide (CID 44563289) is (5Z,8Z,11Z,14Z)-20-(furan-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-20-(furan-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-20-(furan-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide is C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCc1ccco1.
What is the InChIKey of (5Z,8Z,11Z,14Z)-20-(furan-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide?
The InChIKey is OJPRRHVDGAPBDL-BXMGUHIDSA-N. The full InChI is InChI=1S/C27H41NO3/c1-25(24-29)28-27(30)22-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-20-26-21-19-23-31-26/h2-3,6-9,12,14,19,21,23,25,29H,4-5,10-11,13,15-18,20,22,24H2,1H3,(H,28,30)/b3-2-,8-6-,9-7-,14-12-/t25-/m1/s1.
What are the key properties of (5Z,8Z,11Z,14Z)-20-(furan-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-20-(furan-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide has a molecular weight of 427.63 g/mol, XLogP of 6.44, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-20-(furan-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 44563289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).