(9Z,12Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadeca-9,12-dienamide;(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadec-9-enamide;(Z)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide;N-[(3S)-2-methylpentan-3-yl]octadecanamide;[(Z)-octadec-9-enyl] N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate

C118H231N5O10 — CID 159044251

IUPAC(9Z,12Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadeca-9,12-dienamide;(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadec-9-enamide;(Z)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide;N-[(3S)-2-methylpentan-3-yl]octadecanamide;[(Z)-octadec-9-enyl] N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@H](CO)C(C)C.CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO)CC(C)C.CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO)C(C)C.CCCCCCCC/C=C\CCCCCCCCOC(=O)N[C@H](CO)C(C)C.CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC)C(C)C
InChIInChI=1S/C24H47NO3.C24H47NO2.C24H49NO.C23H45NO2.C23H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-24(27)25-23(21-26)22(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(27)25-23(21-26)20-22(2)3;1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)25-23(6-2)22(3)4;2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)24-22(20-25)21(2)3/h11-12,22-23,26H,4-10,13-21H2,1-3H3,(H,25,27);11-12,22-23,26H,4-10,13-21H2,1-3H3,(H,25,27);22-23H,5-21H2,1-4H3,(H,25,26);11-12,21-22,25H,4-10,13-20H2,1-3H3,(H,24,26);8-9,11-12,21-22,25H,4-7,10,13-20H2,1-3H3,(H,24,26)/b2*12-11-;;12-11-;9-8-,12-11-/t3*23-;2*22-/m11011/s1
InChIKeyJWLKPEYITIGWTN-FTIRIYLRSA-N
MW1880.17 g/mol
LogP33.20
Rot. Bonds92

About (9Z,12Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadeca-9,12-dienamide;(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadec-9-enamide;(Z)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide;N-[(3S)-2-methylpentan-3-yl]octadecanamide;[(Z)-octadec-9-enyl] N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate

(9Z,12Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadeca-9,12-dienamide;(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadec-9-enamide;(Z)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide;N-[(3S)-2-methylpentan-3-yl]octadecanamide;[(Z)-octadec-9-enyl] N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate (PubChem CID 159044251) has the molecular formula C118H231N5O10 and a molecular weight of 1880.17 g/mol. Its IUPAC name is (9Z,12Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadeca-9,12-dienamide;(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadec-9-enamide;(Z)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide;N-[(3S)-2-methylpentan-3-yl]octadecanamide;[(Z)-octadec-9-enyl] N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Name(9Z,12Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadeca-9,12-dienamide;(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadec-9-enamide;(Z)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide;N-[(3S)-2-methylpentan-3-yl]octadecanamide;[(Z)-octadec-9-enyl] N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate
PubChem CID159044251
Molecular FormulaC118H231N5O10
Molecular Weight1880.17 g/mol
Exact Mass1878.77
IUPAC Name(9Z,12Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadeca-9,12-dienamide;(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadec-9-enamide;(Z)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide;N-[(3S)-2-methylpentan-3-yl]octadecanamide;[(Z)-octadec-9-enyl] N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@H](CO)C(C)C.CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO)CC(C)C.CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO)C(C)C.CCCCCCCC/C=C\CCCCCCCCOC(=O)N[C@H](CO)C(C)C.CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC)C(C)C
InChIInChI=1S/C24H47NO3.C24H47NO2.C24H49NO.C23H45NO2.C23H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-24(27)25-23(21-26)22(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(27)25-23(21-26)20-22(2)3;1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)25-23(6-2)22(3)4;2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)24-22(20-25)21(2)3/h11-12,22-23,26H,4-10,13-21H2,1-3H3,(H,25,27);11-12,22-23,26H,4-10,13-21H2,1-3H3,(H,25,27);22-23H,5-21H2,1-4H3,(H,25,26);11-12,21-22,25H,4-10,13-20H2,1-3H3,(H,24,26);8-9,11-12,21-22,25H,4-7,10,13-20H2,1-3H3,(H,24,26)/b2*12-11-;;12-11-;9-8-,12-11-/t3*23-;2*22-/m11011/s1
InChIKeyJWLKPEYITIGWTN-FTIRIYLRSA-N
XLogP33.20
TPSA235.65 Ų
H-Bond Donors9
H-Bond Acceptors10
Rotatable Bonds92
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001880.17
LogP ≤ 533.20
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (9Z,12Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadeca-9,12-dienamide;(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadec-9-enamide;(Z)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide;N-[(3S)-2-methylpentan-3-yl]octadecanamide;[(Z)-octadec-9-enyl] N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-1-hydroxy-4-methylpentan-2-yl]octadeca-9,12-dienamide
CID 123156271
(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]hexadec-7-enamide
CID 122518187
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]nonadec-10-enamide
CID 173063108
(9Z,12Z)-N-[(2R)-1-hydroxy-5-methylhexan-2-yl]octadeca-9,12-dienamide
CID 143858807
[38-(1,3-dihydroxyhexacosan-2-ylamino)-38-oxooctatriacontyl] (9Z,12Z)-octadeca-9,12-dienoate
CID 138260161
[(12Z,15Z)-28-(1,3-dihydroxyheptacosan-2-ylamino)-28-oxooctacosa-12,15-dienyl] (11Z,14Z)-icosa-11,14-dienoate
CID 138125570
[(18Z,21Z)-42-(1,3-dihydroxynonacosan-2-ylamino)-42-oxodotetraconta-18,21-dienyl] (Z)-nonadec-9-enoate
CID 138275810
[(12Z,15Z)-26-(1,3-dihydroxyoctacosan-2-ylamino)-26-oxohexacosa-12,15-dienyl] docosanoate
CID 138205181
[32-(1,3-dihydroxynonadecan-2-ylamino)-32-oxodotriacontyl] (9Z,12Z)-nonadeca-9,12-dienoate
CID 138152224
[(12Z,15Z)-28-(1,3-dihydroxyhexadecan-2-ylamino)-28-oxooctacosa-12,15-dienyl] (Z)-heptadec-9-enoate
CID 138196133
[(12Z,15Z)-30-(1,3-dihydroxyhexacosan-2-ylamino)-30-oxotriaconta-12,15-dienyl] octadecanoate
CID 138141497
[20-(1,3-dihydroxyicosan-2-ylamino)-20-oxoicosyl] (9Z,12Z)-octadeca-9,12-dienoate
CID 138150506

Frequently Asked Questions

What is the IUPAC name of (9Z,12Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadeca-9,12-dienamide;(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadec-9-enamide;(Z)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide;N-[(3S)-2-methylpentan-3-yl]octadecanamide;[(Z)-octadec-9-enyl] N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate?
The IUPAC name of (9Z,12Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadeca-9,12-dienamide;(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadec-9-enamide;(Z)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide;N-[(3S)-2-methylpentan-3-yl]octadecanamide;[(Z)-octadec-9-enyl] N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate (CID 159044251) is (9Z,12Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadeca-9,12-dienamide;(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadec-9-enamide;(Z)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide;N-[(3S)-2-methylpentan-3-yl]octadecanamide;[(Z)-octadec-9-enyl] N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate.
What is the SMILES notation for (9Z,12Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadeca-9,12-dienamide;(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadec-9-enamide;(Z)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide;N-[(3S)-2-methylpentan-3-yl]octadecanamide;[(Z)-octadec-9-enyl] N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate?
The canonical SMILES for (9Z,12Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadeca-9,12-dienamide;(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadec-9-enamide;(Z)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide;N-[(3S)-2-methylpentan-3-yl]octadecanamide;[(Z)-octadec-9-enyl] N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate is CCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@H](CO)C(C)C.CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO)CC(C)C.CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO)C(C)C.CCCCCCCC/C=C\CCCCCCCCOC(=O)N[C@H](CO)C(C)C.CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC)C(C)C.
What is the InChIKey of (9Z,12Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadeca-9,12-dienamide;(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadec-9-enamide;(Z)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide;N-[(3S)-2-methylpentan-3-yl]octadecanamide;[(Z)-octadec-9-enyl] N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate?
The InChIKey is JWLKPEYITIGWTN-FTIRIYLRSA-N. The full InChI is InChI=1S/C24H47NO3.C24H47NO2.C24H49NO.C23H45NO2.C23H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-24(27)25-23(21-26)22(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(27)25-23(21-26)20-22(2)3;1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)25-23(6-2)22(3)4;2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)24-22(20-25)21(2)3/h11-12,22-23,26H,4-10,13-21H2,1-3H3,(H,25,27);11-12,22-23,26H,4-10,13-21H2,1-3H3,(H,25,27);22-23H,5-21H2,1-4H3,(H,25,26);11-12,21-22,25H,4-10,13-20H2,1-3H3,(H,24,26);8-9,11-12,21-22,25H,4-7,10,13-20H2,1-3H3,(H,24,26)/b2*12-11-;;12-11-;9-8-,12-11-/t3*23-;2*22-/m11011/s1.
What are the key properties of (9Z,12Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadeca-9,12-dienamide;(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadec-9-enamide;(Z)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide;N-[(3S)-2-methylpentan-3-yl]octadecanamide;[(Z)-octadec-9-enyl] N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate?
(9Z,12Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadeca-9,12-dienamide;(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadec-9-enamide;(Z)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide;N-[(3S)-2-methylpentan-3-yl]octadecanamide;[(Z)-octadec-9-enyl] N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate has a molecular weight of 1880.17 g/mol, XLogP of 33.20, 92 rotatable bonds, 9 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadeca-9,12-dienamide;(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]octadec-9-enamide;(Z)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide;N-[(3S)-2-methylpentan-3-yl]octadecanamide;[(Z)-octadec-9-enyl] N-[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamate is sourced from PubChem (CID 159044251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).