N-[1-[3-ethyl-2-[(E)-non-7-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethyl]acetamide

C18H34N3O+ — CID 101330950

IUPACN-[1-[3-ethyl-2-[(E)-non-7-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethyl]acetamide
SMILESC/C=C/CCCCCCC1N=CC[N+]1(CC)C(C)NC(C)=O
InChIInChI=1S/C18H33N3O/c1-5-7-8-9-10-11-12-13-18-19-14-15-21(18,6-2)16(3)20-17(4)22/h5,7,14,16,18H,6,8-13,15H2,1-4H3/p+1/b7-5+
InChIKeyNMKUMFFMRNHSMX-FNORWQNLSA-O
MW308.49 g/mol
LogP3.63
Rot. Bonds10

About N-[1-[3-ethyl-2-[(E)-non-7-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethyl]acetamide

N-[1-[3-ethyl-2-[(E)-non-7-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethyl]acetamide (PubChem CID 101330950) has the molecular formula C18H34N3O+ and a molecular weight of 308.49 g/mol. Its IUPAC name is N-[1-[3-ethyl-2-[(E)-non-7-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[3-ethyl-2-[(E)-non-7-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethyl]acetamide
PubChem CID101330950
Molecular FormulaC18H34N3O+
Molecular Weight308.49 g/mol
Exact Mass308.27
IUPAC NameN-[1-[3-ethyl-2-[(E)-non-7-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethyl]acetamide
SMILESC/C=C/CCCCCCC1N=CC[N+]1(CC)C(C)NC(C)=O
InChIInChI=1S/C18H33N3O/c1-5-7-8-9-10-11-12-13-18-19-14-15-21(18,6-2)16(3)20-17(4)22/h5,7,14,16,18H,6,8-13,15H2,1-4H3/p+1/b7-5+
InChIKeyNMKUMFFMRNHSMX-FNORWQNLSA-O
XLogP3.63
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-[3-ethyl-2-[(E)-nonadec-8-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethyl]acetamide
CID 101331721
N-[1-[3-ethyl-2-[(E)-nonadec-14-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethyl]acetamide
CID 101331727
N-[1-[3-ethyl-2-[(E)-nonadec-5-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethyl]acetamide
CID 101331718
N-[1-[3-ethyl-2-[(E)-henicos-10-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethyl]acetamide
CID 101331949
N-[1-[3-ethyl-2-[(E)-icos-12-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethyl]acetamide
CID 101331835
N-[1-[3-ethyl-2-[(E)-henicos-14-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethyl]acetamide
CID 101331953
N-[1-[3-ethyl-2-[(E)-tetradec-11-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethyl]acetamide
CID 101331264
N-[1-[3-ethyl-2-[(E)-nonadec-3-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethyl]acetamide
CID 101331716
1-[3-ethyl-2-[(E)-oct-6-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol
CID 101329739
N-[1-[3-ethyl-2-[(E)-oct-1-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethyl]acetamide
CID 101330900
1-[3-ethyl-2-[(E)-heptadec-9-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol
CID 101330350
1-[3-ethyl-2-[(E)-tetradec-9-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethanol
CID 101330096

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-ethyl-2-[(E)-non-7-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethyl]acetamide?
The IUPAC name of N-[1-[3-ethyl-2-[(E)-non-7-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethyl]acetamide (CID 101330950) is N-[1-[3-ethyl-2-[(E)-non-7-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[3-ethyl-2-[(E)-non-7-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[3-ethyl-2-[(E)-non-7-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethyl]acetamide is C/C=C/CCCCCCC1N=CC[N+]1(CC)C(C)NC(C)=O.
What is the InChIKey of N-[1-[3-ethyl-2-[(E)-non-7-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethyl]acetamide?
The InChIKey is NMKUMFFMRNHSMX-FNORWQNLSA-O. The full InChI is InChI=1S/C18H33N3O/c1-5-7-8-9-10-11-12-13-18-19-14-15-21(18,6-2)16(3)20-17(4)22/h5,7,14,16,18H,6,8-13,15H2,1-4H3/p+1/b7-5+.
What are the key properties of N-[1-[3-ethyl-2-[(E)-non-7-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethyl]acetamide?
N-[1-[3-ethyl-2-[(E)-non-7-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethyl]acetamide has a molecular weight of 308.49 g/mol, XLogP of 3.63, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-ethyl-2-[(E)-non-7-enyl]-2,4-dihydroimidazol-3-ium-3-yl]ethyl]acetamide is sourced from PubChem (CID 101330950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).