N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide

C20H39NO3 — CID 5353461

IUPACN-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide
SMILESCCCCCCCCCCCCC/C=C/C(O)C(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+
InChIKeyBLTCBVOJNNKFKC-FOCLMDBBSA-N
MW341.54 g/mol
LogP4.10
Rot. Bonds16

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

N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide (PubChem CID 5353461) has the molecular formula C20H39NO3 and a molecular weight of 341.54 g/mol. Its IUPAC name is N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide
PubChem CID5353461
Molecular FormulaC20H39NO3
Molecular Weight341.54 g/mol
Exact Mass341.29
IUPAC NameN-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide
SMILESCCCCCCCCCCCCC/C=C/C(O)C(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+
InChIKeyBLTCBVOJNNKFKC-FOCLMDBBSA-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

CID 5283564
CID 5283564
CID 5497136
CID 5497136
CID 5702613
CID 5702613
CID 5283568
CID 5283568
CID 5283571
CID 5283571
CID 5702614
CID 5702614
CID 5283565
CID 5283565
CID 5283566
CID 5283566
CID 5283567
CID 5283567
CID 5283570
CID 5283570
CID 5283562
CID 5283562
CID 5283563
CID 5283563

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide?
The IUPAC name of N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide (CID 5353461) is N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide.
What is the SMILES notation for N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide?
The canonical SMILES for N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide is CCCCCCCCCCCCC/C=C/C(O)C(CO)NC(C)=O.
What is the InChIKey of N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide?
The InChIKey is BLTCBVOJNNKFKC-FOCLMDBBSA-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+.
What are the key properties of N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide?
N-[(E)-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-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide is sourced from PubChem (CID 5353461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).