N-[(Z,2R,3S)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide

C20H39NO3 — CID 10759678

IUPACN-[(Z,2R,3S)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide
SMILESCCCCCCCCCCCCC/C=C\[C@H](O)[C@@H](CO)NC(C)=O
InChIInChI=1S/C20H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)19(17-22)21-18(2)23/h15-16,19-20,22,24H,3-14,17H2,1-2H3,(H,21,23)/b16-15-/t19-,20+/m1/s1
InChIKeyBLTCBVOJNNKFKC-LZUVRFFZSA-N
MW341.54 g/mol
LogP4.10
Rot. Bonds16

About N-[(Z,2R,3S)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide

N-[(Z,2R,3S)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide (PubChem CID 10759678) has the molecular formula C20H39NO3 and a molecular weight of 341.54 g/mol. Its IUPAC name is N-[(Z,2R,3S)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(Z,2R,3S)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide
PubChem CID10759678
Molecular FormulaC20H39NO3
Molecular Weight341.54 g/mol
Exact Mass341.29
IUPAC NameN-[(Z,2R,3S)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide
SMILESCCCCCCCCCCCCC/C=C\[C@H](O)[C@@H](CO)NC(C)=O
InChIInChI=1S/C20H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)19(17-22)21-18(2)23/h15-16,19-20,22,24H,3-14,17H2,1-2H3,(H,21,23)/b16-15-/t19-,20+/m1/s1
InChIKeyBLTCBVOJNNKFKC-LZUVRFFZSA-N
XLogP4.10
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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,2R,3S)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide
CID 10427441
N-[(E,2R,3S)-1,3-dihydroxyhexadec-4-en-2-yl]acetamide
CID 141483442
N-[(E)-1,3-dihydroxyheptadec-4-en-2-yl]nonacosanamide
CID 138226791
N-[(E)-1,3-dihydroxytricos-4-en-2-yl]hentriacontanamide
CID 138297744
N-[(E)-1,3-dihydroxyhenicos-4-en-2-yl]dotriacontanamide
CID 138274464
N-[(E)-1,3-dihydroxyicos-4-en-2-yl]docosanamide
CID 138313880
N-[(E)-1,3-dihydroxyoctacos-4-en-2-yl]octatriacontanamide
CID 138300915
N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]tricosanamide
CID 59982723
N-[(E,2S)-1,3-dihydroxyoctadec-4-en-2-yl]heptadecanamide
CID 171405887
N-[(E)-1,3-dihydroxydocos-4-en-2-yl]nonacosanamide
CID 138316257
N-[(E)-1,3-dihydroxynonacos-4-en-2-yl]tricosanamide
CID 138247219
N-[(E)-1,3-dihydroxyhexadec-4-en-2-yl]heptacosanamide
CID 138262706

Frequently Asked Questions

What is the IUPAC name of N-[(Z,2R,3S)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide?
The IUPAC name of N-[(Z,2R,3S)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide (CID 10759678) is N-[(Z,2R,3S)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide.
What is the SMILES notation for N-[(Z,2R,3S)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide?
The canonical SMILES for N-[(Z,2R,3S)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide is CCCCCCCCCCCCC/C=C\[C@H](O)[C@@H](CO)NC(C)=O.
What is the InChIKey of N-[(Z,2R,3S)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide?
The InChIKey is BLTCBVOJNNKFKC-LZUVRFFZSA-N. The full InChI is InChI=1S/C20H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)19(17-22)21-18(2)23/h15-16,19-20,22,24H,3-14,17H2,1-2H3,(H,21,23)/b16-15-/t19-,20+/m1/s1.
What are the key properties of N-[(Z,2R,3S)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide?
N-[(Z,2R,3S)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide has a molecular weight of 341.54 g/mol, XLogP of 4.10, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,2R,3S)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide is sourced from PubChem (CID 10759678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).