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

C20H39NO3 — CID 2505

IUPACN-(1,3-dihydroxyoctadec-4-en-2-yl)acetamide
SMILESCCCCCCCCCCCCCC=CC(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)
InChIKeyBLTCBVOJNNKFKC-UHFFFAOYSA-N
MW341.54 g/mol
LogP4.10
Rot. Bonds16

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

N-(1,3-dihydroxyoctadec-4-en-2-yl)acetamide (PubChem CID 2505) has the molecular formula C20H39NO3 and a molecular weight of 341.54 g/mol. Its IUPAC name is N-(1,3-dihydroxyoctadec-4-en-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-dihydroxyoctadec-4-en-2-yl)acetamide
PubChem CID2505
Molecular FormulaC20H39NO3
Molecular Weight341.54 g/mol
Exact Mass341.29
IUPAC NameN-(1,3-dihydroxyoctadec-4-en-2-yl)acetamide
SMILESCCCCCCCCCCCCCC=CC(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)
InChIKeyBLTCBVOJNNKFKC-UHFFFAOYSA-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

C16-Ceramide
CID 5283564
C2-Ceramide
CID 5497136
N-Hexanoylsphingosine
CID 5702613
Cer(d18:1/24:1(15Z))
CID 5283568
C24-Ceramide
CID 5283571
C8-Ceramide
CID 5702614
C18-Ceramide
CID 5283565
Cer(d18:1/20:0)
CID 5283566
Cer(d18:1/22:0)
CID 5283567
C26 Cer
CID 5283570
N-Lauroyl-D-erythro-sphingosine
CID 5283562
N-(oleoyl)-ceramide
CID 5283563

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxyoctadec-4-en-2-yl)acetamide?
The IUPAC name of N-(1,3-dihydroxyoctadec-4-en-2-yl)acetamide (CID 2505) is N-(1,3-dihydroxyoctadec-4-en-2-yl)acetamide.
What is the SMILES notation for N-(1,3-dihydroxyoctadec-4-en-2-yl)acetamide?
The canonical SMILES for N-(1,3-dihydroxyoctadec-4-en-2-yl)acetamide is CCCCCCCCCCCCCC=CC(O)C(CO)NC(C)=O.
What is the InChIKey of N-(1,3-dihydroxyoctadec-4-en-2-yl)acetamide?
The InChIKey is BLTCBVOJNNKFKC-UHFFFAOYSA-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).
What are the key properties of N-(1,3-dihydroxyoctadec-4-en-2-yl)acetamide?
N-(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-(1,3-dihydroxyoctadec-4-en-2-yl)acetamide is sourced from PubChem (CID 2505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).