(Z)-N-[(1S,2R)-2-[[(14Z)-tricosa-1,14-dien-2-yl]amino]cyclopentyl]docos-13-enamide

C50H94N2O — CID 89399907

IUPAC(Z)-N-[(1S,2R)-2-[[(14Z)-tricosa-1,14-dien-2-yl]amino]cyclopentyl]docos-13-enamide
SMILESC=C(CCCCCCCCCCC/C=C\CCCCCCCC)N[C@@H]1CCC[C@@H]1NC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C50H94N2O/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-43-47(3)51-48-44-42-45-49(48)52-50(53)46-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,48-49,51H,3-17,22-46H2,1-2H3,(H,52,53)/b20-18-,21-19-/t48-,49+/m1/s1
InChIKeyISUSHYIHJOOSER-ZMDNYDRDSA-N
MW739.31 g/mol
LogP16.32
Rot. Bonds41

About (Z)-N-[(1S,2R)-2-[[(14Z)-tricosa-1,14-dien-2-yl]amino]cyclopentyl]docos-13-enamide

(Z)-N-[(1S,2R)-2-[[(14Z)-tricosa-1,14-dien-2-yl]amino]cyclopentyl]docos-13-enamide (PubChem CID 89399907) has the molecular formula C50H94N2O and a molecular weight of 739.31 g/mol. Its IUPAC name is (Z)-N-[(1S,2R)-2-[[(14Z)-tricosa-1,14-dien-2-yl]amino]cyclopentyl]docos-13-enamide.

Molecular Properties

Compound Name(Z)-N-[(1S,2R)-2-[[(14Z)-tricosa-1,14-dien-2-yl]amino]cyclopentyl]docos-13-enamide
PubChem CID89399907
Molecular FormulaC50H94N2O
Molecular Weight739.31 g/mol
Exact Mass738.74
IUPAC Name(Z)-N-[(1S,2R)-2-[[(14Z)-tricosa-1,14-dien-2-yl]amino]cyclopentyl]docos-13-enamide
SMILESC=C(CCCCCCCCCCC/C=C\CCCCCCCC)N[C@@H]1CCC[C@@H]1NC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C50H94N2O/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-43-47(3)51-48-44-42-45-49(48)52-50(53)46-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,48-49,51H,3-17,22-46H2,1-2H3,(H,52,53)/b20-18-,21-19-/t48-,49+/m1/s1
InChIKeyISUSHYIHJOOSER-ZMDNYDRDSA-N
XLogP16.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds41
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.31
LogP ≤ 516.32
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'}

Analyze (Z)-N-[(1S,2R)-2-[[(14Z)-tricosa-1,14-dien-2-yl]amino]cyclopentyl]docos-13-enamide with MolForge

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Related Compounds

(9Z,12Z)-N-[(1S,2R)-2-[[(10Z,13Z)-nonadeca-1,10,13-trien-2-yl]amino]cyclopropyl]octadeca-9,12-dienamide
CID 89399914
N-[2-(dodecanoylamino)cyclohexyl]dodecanamide
CID 10299379
(E)-N-cyclohexyloctadec-9-enamide
CID 10948482
N-[(1R,2R)-2-acetamidocyclohexyl]dodecanamide
CID 158939000
N-(2-chlorocyclopentyl)dodecanamide
CID 106444076
N-(2-chlorocyclopentyl)nonanamide
CID 106443674
N-[2-(hydroxymethyl)cyclopentyl]nonanamide
CID 103774038
N-(2,3-dimethylcyclohexyl)tridecanamide
CID 57307251
N-[2-(chloromethyl)cyclopentyl]nonanamide
CID 114179441
N-(2,3-dimethylcyclohexyl)decanamide;ethane
CID 143436811
N-cyclobutylhexadecanamide
CID 67041463
N-cyclobutylicosanamide
CID 10384249

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(1S,2R)-2-[[(14Z)-tricosa-1,14-dien-2-yl]amino]cyclopentyl]docos-13-enamide?
The IUPAC name of (Z)-N-[(1S,2R)-2-[[(14Z)-tricosa-1,14-dien-2-yl]amino]cyclopentyl]docos-13-enamide (CID 89399907) is (Z)-N-[(1S,2R)-2-[[(14Z)-tricosa-1,14-dien-2-yl]amino]cyclopentyl]docos-13-enamide.
What is the SMILES notation for (Z)-N-[(1S,2R)-2-[[(14Z)-tricosa-1,14-dien-2-yl]amino]cyclopentyl]docos-13-enamide?
The canonical SMILES for (Z)-N-[(1S,2R)-2-[[(14Z)-tricosa-1,14-dien-2-yl]amino]cyclopentyl]docos-13-enamide is C=C(CCCCCCCCCCC/C=C\CCCCCCCC)N[C@@H]1CCC[C@@H]1NC(=O)CCCCCCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of (Z)-N-[(1S,2R)-2-[[(14Z)-tricosa-1,14-dien-2-yl]amino]cyclopentyl]docos-13-enamide?
The InChIKey is ISUSHYIHJOOSER-ZMDNYDRDSA-N. The full InChI is InChI=1S/C50H94N2O/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-43-47(3)51-48-44-42-45-49(48)52-50(53)46-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,48-49,51H,3-17,22-46H2,1-2H3,(H,52,53)/b20-18-,21-19-/t48-,49+/m1/s1.
What are the key properties of (Z)-N-[(1S,2R)-2-[[(14Z)-tricosa-1,14-dien-2-yl]amino]cyclopentyl]docos-13-enamide?
(Z)-N-[(1S,2R)-2-[[(14Z)-tricosa-1,14-dien-2-yl]amino]cyclopentyl]docos-13-enamide has a molecular weight of 739.31 g/mol, XLogP of 16.32, 41 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(1S,2R)-2-[[(14Z)-tricosa-1,14-dien-2-yl]amino]cyclopentyl]docos-13-enamide is sourced from PubChem (CID 89399907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).