N-[(2S)-1-hydroxy-3-methylbutan-2-yl]nonadec-10-enamide

C24H47NO2 — CID 173063108

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]nonadec-10-enamide
SMILESCCCCCCCCC=CCCCCCCCCC(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C24H47NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(27)25-23(21-26)22(2)3/h11-12,22-23,26H,4-10,13-21H2,1-3H3,(H,25,27)/t23-/m1/s1
InChIKeyCHCDQBHXAPOCPX-HSZRJFAPSA-N
MW381.65 g/mol
LogP6.55
Rot. Bonds19

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]nonadec-10-enamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]nonadec-10-enamide (PubChem CID 173063108) has the molecular formula C24H47NO2 and a molecular weight of 381.65 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]nonadec-10-enamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]nonadec-10-enamide
PubChem CID173063108
Molecular FormulaC24H47NO2
Molecular Weight381.65 g/mol
Exact Mass381.36
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]nonadec-10-enamide
SMILESCCCCCCCCC=CCCCCCCCCC(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C24H47NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(27)25-23(21-26)22(2)3/h11-12,22-23,26H,4-10,13-21H2,1-3H3,(H,25,27)/t23-/m1/s1
InChIKeyCHCDQBHXAPOCPX-HSZRJFAPSA-N
XLogP6.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.65
LogP ≤ 56.55
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

(Z)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]hexadec-7-enamide
CID 122518187
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 N-[(2S)-1-hydroxy-3-methylbutan-2-yl]nonadec-10-enamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]nonadec-10-enamide (CID 173063108) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]nonadec-10-enamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]nonadec-10-enamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]nonadec-10-enamide is CCCCCCCCC=CCCCCCCCCC(=O)N[C@H](CO)C(C)C.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]nonadec-10-enamide?
The InChIKey is CHCDQBHXAPOCPX-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H47NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(27)25-23(21-26)22(2)3/h11-12,22-23,26H,4-10,13-21H2,1-3H3,(H,25,27)/t23-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]nonadec-10-enamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]nonadec-10-enamide has a molecular weight of 381.65 g/mol, XLogP of 6.55, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]nonadec-10-enamide is sourced from PubChem (CID 173063108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).