(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-16,16-dimethyl-17-(morpholin-4-ylmethyl)nonadeca-5,8,11,14-tetraenamide

C29H50N2O3 — CID 71129515

About (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-16,16-dimethyl-17-(morpholin-4-ylmethyl)nonadeca-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-16,16-dimethyl-17-(morpholin-4-ylmethyl)nonadeca-5,8,11,14-tetraenamide (PubChem CID 71129515) has the molecular formula C29H50N2O3 and a molecular weight of 474.73 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-16,16-dimethyl-17-(morpholin-4-ylmethyl)nonadeca-5,8,11,14-tetraenamide.

Molecular Properties

• Compound Name: (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-16,16-dimethyl-17-(morpholin-4-ylmethyl)nonadeca-5,8,11,14-tetraenamide
• PubChem CID: 71129515
• Molecular Formula: C29H50N2O3
• Molecular Weight: 474.73 g/mol
• Exact Mass: 474.38
• IUPAC Name: (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-16,16-dimethyl-17-(morpholin-4-ylmethyl)nonadeca-5,8,11,14-tetraenamide
• SMILES: CCC(CN1CCOCC1)C(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)CO
• InChI: InChI=1S/C29H50N2O3/c1-5-27(24-31-20-22-34-23-21-31)29(3,4)19-17-15-13-11-9-7-6-8-10-12-14-16-18-28(33)30-26(2)25-32/h6-7,10-13,17,19,26-27,32H,5,8-9,14-16,18,20-25H2,1-4H3,(H,30,33)/b7-6-,12-10-,13-11-,19-17-/t26-,27?/m1/s1
• InChIKey: FMDSGBWKBBJNHW-QJDJHNKOSA-N
• XLogP: 5.43
• TPSA: 61.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.73
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-16,16-dimethyl-17-(morpholin-4-ylmethyl)nonadeca-5,8,11,14-tetraenamide?

The IUPAC name of (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-16,16-dimethyl-17-(morpholin-4-ylmethyl)nonadeca-5,8,11,14-tetraenamide (CID 71129515) is (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-16,16-dimethyl-17-(morpholin-4-ylmethyl)nonadeca-5,8,11,14-tetraenamide.

What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-16,16-dimethyl-17-(morpholin-4-ylmethyl)nonadeca-5,8,11,14-tetraenamide?

The canonical SMILES for (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-16,16-dimethyl-17-(morpholin-4-ylmethyl)nonadeca-5,8,11,14-tetraenamide is CCC(CN1CCOCC1)C(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)CO.

What is the InChIKey of (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-16,16-dimethyl-17-(morpholin-4-ylmethyl)nonadeca-5,8,11,14-tetraenamide?

The InChIKey is FMDSGBWKBBJNHW-QJDJHNKOSA-N. The full InChI is InChI=1S/C29H50N2O3/c1-5-27(24-31-20-22-34-23-21-31)29(3,4)19-17-15-13-11-9-7-6-8-10-12-14-16-18-28(33)30-26(2)25-32/h6-7,10-13,17,19,26-27,32H,5,8-9,14-16,18,20-25H2,1-4H3,(H,30,33)/b7-6-,12-10-,13-11-,19-17-/t26-,27?/m1/s1.

What are the key properties of (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-16,16-dimethyl-17-(morpholin-4-ylmethyl)nonadeca-5,8,11,14-tetraenamide?

(5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-16,16-dimethyl-17-(morpholin-4-ylmethyl)nonadeca-5,8,11,14-tetraenamide has a molecular weight of 474.73 g/mol, XLogP of 5.43, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-16,16-dimethyl-17-(morpholin-4-ylmethyl)nonadeca-5,8,11,14-tetraenamide is sourced from PubChem (CID 71129515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).