N-[(E,2S,3R)-3-hydroxynonadec-5-en-2-yl]acetamide

C21H41NO2 — CID 54753225

IUPACN-[(E,2S,3R)-3-hydroxynonadec-5-en-2-yl]acetamide
SMILESCCCCCCCCCCCCC/C=C/C[C@@H](O)[C@H](C)NC(C)=O
InChIInChI=1S/C21H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)19(2)22-20(3)23/h16-17,19,21,24H,4-15,18H2,1-3H3,(H,22,23)/b17-16+/t19-,21+/m0/s1
InChIKeyCWPOZOIZMSZHKL-FJGQEFEISA-N
MW339.56 g/mol
LogP5.52
Rot. Bonds16

About N-[(E,2S,3R)-3-hydroxynonadec-5-en-2-yl]acetamide

N-[(E,2S,3R)-3-hydroxynonadec-5-en-2-yl]acetamide (PubChem CID 54753225) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is N-[(E,2S,3R)-3-hydroxynonadec-5-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(E,2S,3R)-3-hydroxynonadec-5-en-2-yl]acetamide
PubChem CID54753225
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC NameN-[(E,2S,3R)-3-hydroxynonadec-5-en-2-yl]acetamide
SMILESCCCCCCCCCCCCC/C=C/C[C@@H](O)[C@H](C)NC(C)=O
InChIInChI=1S/C21H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)19(2)22-20(3)23/h16-17,19,21,24H,4-15,18H2,1-3H3,(H,22,23)/b17-16+/t19-,21+/m0/s1
InChIKeyCWPOZOIZMSZHKL-FJGQEFEISA-N
XLogP5.52
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 ≤ 55.52
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-[(E,2S,3R)-3-hydroxydec-5-en-2-yl]acetamide
CID 54753229
N-[(2S,3S,5E,7E)-3-hydroxytetradeca-5,7-dien-2-yl]acetamide
CID 14235828
(E)-heptadec-9-ene-6,7-diol
CID 173310595
N-[(2S,3R)-1,3-dihydroxyoctadec-5-en-2-yl]octadec-3-enamide
CID 154573065
(Z,3S)-3-methyldodec-5-enoic acid
CID 169492038
3-hydroxytetradec-5-enoic acid
CID 73443469
2-[(E)-nonadec-2-enyl]propanedioic acid
CID 156873698
2-[(E)-dec-2-enyl]propanedioic acid
CID 156873573
(Z)-2-hydroxydodec-4-enoic acid
CID 134931228
acetic acid;(E)-tetradec-7-ene
CID 174697247
(7Z,10Z,16Z)-13,14-dihydroxydocosa-7,10,16-trienoic acid
CID 171042985
N-[(E)-pentadec-2-enyl]acetamide
CID 118028495

Frequently Asked Questions

What is the IUPAC name of N-[(E,2S,3R)-3-hydroxynonadec-5-en-2-yl]acetamide?
The IUPAC name of N-[(E,2S,3R)-3-hydroxynonadec-5-en-2-yl]acetamide (CID 54753225) is N-[(E,2S,3R)-3-hydroxynonadec-5-en-2-yl]acetamide.
What is the SMILES notation for N-[(E,2S,3R)-3-hydroxynonadec-5-en-2-yl]acetamide?
The canonical SMILES for N-[(E,2S,3R)-3-hydroxynonadec-5-en-2-yl]acetamide is CCCCCCCCCCCCC/C=C/C[C@@H](O)[C@H](C)NC(C)=O.
What is the InChIKey of N-[(E,2S,3R)-3-hydroxynonadec-5-en-2-yl]acetamide?
The InChIKey is CWPOZOIZMSZHKL-FJGQEFEISA-N. The full InChI is InChI=1S/C21H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)19(2)22-20(3)23/h16-17,19,21,24H,4-15,18H2,1-3H3,(H,22,23)/b17-16+/t19-,21+/m0/s1.
What are the key properties of N-[(E,2S,3R)-3-hydroxynonadec-5-en-2-yl]acetamide?
N-[(E,2S,3R)-3-hydroxynonadec-5-en-2-yl]acetamide has a molecular weight of 339.56 g/mol, XLogP of 5.52, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2S,3R)-3-hydroxynonadec-5-en-2-yl]acetamide is sourced from PubChem (CID 54753225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).