2-acetamidohexadeca-11,15-dien-3-yl acetate

C20H35NO3 — CID 85194795

IUPAC2-acetamidohexadeca-11,15-dien-3-yl acetate
SMILESC=CCCC=CCCCCCCCC(OC(C)=O)C(C)NC(C)=O
InChIInChI=1S/C20H35NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-20(24-19(4)23)17(2)21-18(3)22/h5,8-9,17,20H,1,6-7,10-16H2,2-4H3,(H,21,22)
InChIKeyCRMFIKHGVDDODO-UHFFFAOYSA-N
MW337.50 g/mol
LogP4.70
Rot. Bonds14

About 2-acetamidohexadeca-11,15-dien-3-yl acetate

2-acetamidohexadeca-11,15-dien-3-yl acetate (PubChem CID 85194795) has the molecular formula C20H35NO3 and a molecular weight of 337.50 g/mol. Its IUPAC name is 2-acetamidohexadeca-11,15-dien-3-yl acetate.

Molecular Properties

Compound Name2-acetamidohexadeca-11,15-dien-3-yl acetate
PubChem CID85194795
Molecular FormulaC20H35NO3
Molecular Weight337.50 g/mol
Exact Mass337.26
IUPAC Name2-acetamidohexadeca-11,15-dien-3-yl acetate
SMILESC=CCCC=CCCCCCCCC(OC(C)=O)C(C)NC(C)=O
InChIInChI=1S/C20H35NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-20(24-19(4)23)17(2)21-18(3)22/h5,8-9,17,20H,1,6-7,10-16H2,2-4H3,(H,21,22)
InChIKeyCRMFIKHGVDDODO-UHFFFAOYSA-N
XLogP4.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
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

[(2S,3R)-2-acetamidohexadec-15-en-3-yl] acetate
CID 10807027
(2,27-diacetamido-26-acetyloxy-18-oxooctacosan-3-yl) acetate
CID 15625337
[(15R,16R)-16-acetamido-15-acetyloxyheptadecyl] acetate
CID 24762585
[(2R,3S,5E,9Z,12Z,15Z)-2-acetamidooctadeca-5,9,12,15-tetraen-3-yl] acetate
CID 101236895
nonacosa-1,28-dien-15-yl acetate
CID 101064980
1,2-dihydroxyhenicos-12-en-3-yl acetate
CID 173087659
2-aminododec-8-en-3-yl acetate
CID 163107769
methyl 3-acetyloxy-2-dodecyloctadec-11-enoate
CID 163036755
methyl (Z,2R)-2-[(1S)-1-acetyloxyhexadecyl]octadec-9-enoate
CID 162960576
methyl (2S,3S)-3-acetyloxy-2-tetradecyloctadec-11-enoate
CID 162959181
[(2R)-tridec-10-en-2-yl] acetate
CID 173369884
[(Z,2R)-heptadec-8-en-2-yl] acetate
CID 66573257

Frequently Asked Questions

What is the IUPAC name of 2-acetamidohexadeca-11,15-dien-3-yl acetate?
The IUPAC name of 2-acetamidohexadeca-11,15-dien-3-yl acetate (CID 85194795) is 2-acetamidohexadeca-11,15-dien-3-yl acetate.
What is the SMILES notation for 2-acetamidohexadeca-11,15-dien-3-yl acetate?
The canonical SMILES for 2-acetamidohexadeca-11,15-dien-3-yl acetate is C=CCCC=CCCCCCCCC(OC(C)=O)C(C)NC(C)=O.
What is the InChIKey of 2-acetamidohexadeca-11,15-dien-3-yl acetate?
The InChIKey is CRMFIKHGVDDODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-20(24-19(4)23)17(2)21-18(3)22/h5,8-9,17,20H,1,6-7,10-16H2,2-4H3,(H,21,22).
What are the key properties of 2-acetamidohexadeca-11,15-dien-3-yl acetate?
2-acetamidohexadeca-11,15-dien-3-yl acetate has a molecular weight of 337.50 g/mol, XLogP of 4.70, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidohexadeca-11,15-dien-3-yl acetate is sourced from PubChem (CID 85194795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).