(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]hexadec-7-enamide

C21H41NO2 — CID 122518187

IUPAC(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]hexadec-7-enamide
SMILESCCCCCCCC/C=C\CCCCCC(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C21H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)22-20(18-23)19(2)3/h11-12,19-20,23H,4-10,13-18H2,1-3H3,(H,22,24)/b12-11-/t20-/m1/s1
InChIKeySYTPQLBJWZRXCP-ZCPJJFRWSA-N
MW339.56 g/mol
LogP5.38
Rot. Bonds16

About (Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]hexadec-7-enamide

(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]hexadec-7-enamide (PubChem CID 122518187) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is (Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]hexadec-7-enamide.

Molecular Properties

Compound Name(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]hexadec-7-enamide
PubChem CID122518187
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC Name(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]hexadec-7-enamide
SMILESCCCCCCCC/C=C\CCCCCC(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C21H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)22-20(18-23)19(2)3/h11-12,19-20,23H,4-10,13-18H2,1-3H3,(H,22,24)/b12-11-/t20-/m1/s1
InChIKeySYTPQLBJWZRXCP-ZCPJJFRWSA-N
XLogP5.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.56
LogP ≤ 55.38
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'}

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Related Compounds

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]nonadec-10-enamide
CID 173063108
N-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide
CID 21299171
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
CID 79252664
N-[(E,2R)-1-hydroxy-3-methyloctadec-4-en-2-yl]hexadecanamide
CID 130252091
(Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide
CID 53318751
(E)-N-[(2S)-1-hydroxypropan-2-yl]octadec-9-enamide
CID 66509136
N-(1-hydroxypropan-2-yl)tetracos-15-enamide
CID 173265118
(Z)-N-[(E)-1,3-dihydroxynonadec-4-en-2-yl]heptacos-12-enamide
CID 138291503
(Z)-N-[(E)-1,3-dihydroxyhexadec-4-en-2-yl]dotriacont-17-enamide
CID 138156492
(Z)-N-[(E)-1,3-dihydroxyhexadec-4-en-2-yl]tetratriacont-19-enamide
CID 138177528
(E)-N-[(E,2S,3R)-1,3-dihydroxyhexadec-4-en-2-yl]tetracos-15-enamide
CID 10746442
(Z)-N-[(E)-1,3-dihydroxyheptadec-4-en-2-yl]tritriacont-18-enamide
CID 138154639

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]hexadec-7-enamide?
The IUPAC name of (Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]hexadec-7-enamide (CID 122518187) is (Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]hexadec-7-enamide.
What is the SMILES notation for (Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]hexadec-7-enamide?
The canonical SMILES for (Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]hexadec-7-enamide is CCCCCCCC/C=C\CCCCCC(=O)N[C@H](CO)C(C)C.
What is the InChIKey of (Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]hexadec-7-enamide?
The InChIKey is SYTPQLBJWZRXCP-ZCPJJFRWSA-N. The full InChI is InChI=1S/C21H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)22-20(18-23)19(2)3/h11-12,19-20,23H,4-10,13-18H2,1-3H3,(H,22,24)/b12-11-/t20-/m1/s1.
What are the key properties of (Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]hexadec-7-enamide?
(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]hexadec-7-enamide has a molecular weight of 339.56 g/mol, XLogP of 5.38, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]hexadec-7-enamide is sourced from PubChem (CID 122518187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).