(E)-N-[(2R)-1-hydroxypropan-2-yl]-10-oxooctadec-8-enamide

C21H39NO3 — CID 53324035

IUPAC(E)-N-[(2R)-1-hydroxypropan-2-yl]-10-oxooctadec-8-enamide
SMILESCCCCCCCCC(=O)/C=C/CCCCCCC(=O)N[C@H](C)CO
InChIInChI=1S/C21H39NO3/c1-3-4-5-6-9-12-15-20(24)16-13-10-7-8-11-14-17-21(25)22-19(2)18-23/h13,16,19,23H,3-12,14-15,17-18H2,1-2H3,(H,22,25)/b16-13+/t19-/m1/s1
InChIKeyBBPXIDANKBZMAW-NRMGUKERSA-N
MW353.55 g/mol
LogP4.70
Rot. Bonds17

About (E)-N-[(2R)-1-hydroxypropan-2-yl]-10-oxooctadec-8-enamide

(E)-N-[(2R)-1-hydroxypropan-2-yl]-10-oxooctadec-8-enamide (PubChem CID 53324035) has the molecular formula C21H39NO3 and a molecular weight of 353.55 g/mol. Its IUPAC name is (E)-N-[(2R)-1-hydroxypropan-2-yl]-10-oxooctadec-8-enamide.

Molecular Properties

Compound Name(E)-N-[(2R)-1-hydroxypropan-2-yl]-10-oxooctadec-8-enamide
PubChem CID53324035
Molecular FormulaC21H39NO3
Molecular Weight353.55 g/mol
Exact Mass353.29
IUPAC Name(E)-N-[(2R)-1-hydroxypropan-2-yl]-10-oxooctadec-8-enamide
SMILESCCCCCCCCC(=O)/C=C/CCCCCCC(=O)N[C@H](C)CO
InChIInChI=1S/C21H39NO3/c1-3-4-5-6-9-12-15-20(24)16-13-10-7-8-11-14-17-21(25)22-19(2)18-23/h13,16,19,23H,3-12,14-15,17-18H2,1-2H3,(H,22,25)/b16-13+/t19-/m1/s1
InChIKeyBBPXIDANKBZMAW-NRMGUKERSA-N
XLogP4.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.55
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide
CID 53318751
N-(1-hydroxypropan-2-yl)tetracos-15-enamide
CID 173265118
(E)-N-[(2S)-1-hydroxypropan-2-yl]octadec-9-enamide
CID 66509136
N-(1-hydroxypropan-2-yl)heptanamide
CID 43418581
henicos-9-en-11-one
CID 3023243
(E)-henicos-9-en-11-one
CID 6366356
(Z)-hexadec-9-en-8-one
CID 134907163
(E)-icos-11-en-10-one
CID 101359358
N-[(E,2S)-1-hydroxy-3-oxooctadec-4-en-2-yl]hexanamide
CID 101346459
(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
N-pentan-2-ylundecanamide
CID 173258559

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2R)-1-hydroxypropan-2-yl]-10-oxooctadec-8-enamide?
The IUPAC name of (E)-N-[(2R)-1-hydroxypropan-2-yl]-10-oxooctadec-8-enamide (CID 53324035) is (E)-N-[(2R)-1-hydroxypropan-2-yl]-10-oxooctadec-8-enamide.
What is the SMILES notation for (E)-N-[(2R)-1-hydroxypropan-2-yl]-10-oxooctadec-8-enamide?
The canonical SMILES for (E)-N-[(2R)-1-hydroxypropan-2-yl]-10-oxooctadec-8-enamide is CCCCCCCCC(=O)/C=C/CCCCCCC(=O)N[C@H](C)CO.
What is the InChIKey of (E)-N-[(2R)-1-hydroxypropan-2-yl]-10-oxooctadec-8-enamide?
The InChIKey is BBPXIDANKBZMAW-NRMGUKERSA-N. The full InChI is InChI=1S/C21H39NO3/c1-3-4-5-6-9-12-15-20(24)16-13-10-7-8-11-14-17-21(25)22-19(2)18-23/h13,16,19,23H,3-12,14-15,17-18H2,1-2H3,(H,22,25)/b16-13+/t19-/m1/s1.
What are the key properties of (E)-N-[(2R)-1-hydroxypropan-2-yl]-10-oxooctadec-8-enamide?
(E)-N-[(2R)-1-hydroxypropan-2-yl]-10-oxooctadec-8-enamide has a molecular weight of 353.55 g/mol, XLogP of 4.70, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2R)-1-hydroxypropan-2-yl]-10-oxooctadec-8-enamide is sourced from PubChem (CID 53324035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).