N-[6-[(2E)-2-ethenylpenta-2,4-dienoxy]hept-6-enyl]acetamide

C16H25NO2 — CID 144874537

IUPACN-[6-[(2E)-2-ethenylpenta-2,4-dienoxy]hept-6-enyl]acetamide
SMILESC=C/C=C(\C=C)COC(=C)CCCCCNC(C)=O
InChIInChI=1S/C16H25NO2/c1-5-10-16(6-2)13-19-14(3)11-8-7-9-12-17-15(4)18/h5-6,10H,1-3,7-9,11-13H2,4H3,(H,17,18)/b16-10+
InChIKeyOIWJGBFAZQTGPN-MHWRWJLKSA-N
MW263.38 g/mol
LogP3.51
Rot. Bonds11

About N-[6-[(2E)-2-ethenylpenta-2,4-dienoxy]hept-6-enyl]acetamide

N-[6-[(2E)-2-ethenylpenta-2,4-dienoxy]hept-6-enyl]acetamide (PubChem CID 144874537) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[6-[(2E)-2-ethenylpenta-2,4-dienoxy]hept-6-enyl]acetamide.

Molecular Properties

Compound NameN-[6-[(2E)-2-ethenylpenta-2,4-dienoxy]hept-6-enyl]acetamide
PubChem CID144874537
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[6-[(2E)-2-ethenylpenta-2,4-dienoxy]hept-6-enyl]acetamide
SMILESC=C/C=C(\C=C)COC(=C)CCCCCNC(C)=O
InChIInChI=1S/C16H25NO2/c1-5-10-16(6-2)13-19-14(3)11-8-7-9-12-17-15(4)18/h5-6,10H,1-3,7-9,11-13H2,4H3,(H,17,18)/b16-10+
InChIKeyOIWJGBFAZQTGPN-MHWRWJLKSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(8-oxononyl)acetamide
CID 58114719
6-acetamido-N-ethoxyhexanamide
CID 60717872
N-[(3Z)-3-(1-bromoethenyl)hexa-3,5-dienyl]acetamide
CID 145058576
[(2E)-2-ethenylpenta-2,4-dienyl] propan-2-yl carbonate
CID 177245835
prop-2-enyl N-(4-acetamidobutyl)carbamate
CID 54178304
13-acetamido-8-oxotridecanamide
CID 158027008
2-ethenylpenta-2,4-dienyl N-[1,3-bis[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]carbamate
CID 123689007
formic acid;methyl 7-acetamidoheptanoate
CID 145029854
methyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]carbamate
CID 154661224
[(2E)-2-ethenylpenta-2,4-dienyl] 3-methylbutanoate
CID 164591650
6-acetamidohexanoic acid;methane
CID 163527023
6-acetamido-N-propylhexanamide
CID 60654879

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2E)-2-ethenylpenta-2,4-dienoxy]hept-6-enyl]acetamide?
The IUPAC name of N-[6-[(2E)-2-ethenylpenta-2,4-dienoxy]hept-6-enyl]acetamide (CID 144874537) is N-[6-[(2E)-2-ethenylpenta-2,4-dienoxy]hept-6-enyl]acetamide.
What is the SMILES notation for N-[6-[(2E)-2-ethenylpenta-2,4-dienoxy]hept-6-enyl]acetamide?
The canonical SMILES for N-[6-[(2E)-2-ethenylpenta-2,4-dienoxy]hept-6-enyl]acetamide is C=C/C=C(\C=C)COC(=C)CCCCCNC(C)=O.
What is the InChIKey of N-[6-[(2E)-2-ethenylpenta-2,4-dienoxy]hept-6-enyl]acetamide?
The InChIKey is OIWJGBFAZQTGPN-MHWRWJLKSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-10-16(6-2)13-19-14(3)11-8-7-9-12-17-15(4)18/h5-6,10H,1-3,7-9,11-13H2,4H3,(H,17,18)/b16-10+.
What are the key properties of N-[6-[(2E)-2-ethenylpenta-2,4-dienoxy]hept-6-enyl]acetamide?
N-[6-[(2E)-2-ethenylpenta-2,4-dienoxy]hept-6-enyl]acetamide has a molecular weight of 263.38 g/mol, XLogP of 3.51, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2E)-2-ethenylpenta-2,4-dienoxy]hept-6-enyl]acetamide is sourced from PubChem (CID 144874537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).