N,N-dibutyl-2-ethyl-3-methylhept-2-enamide

C18H35NO — CID 172760388

IUPACN,N-dibutyl-2-ethyl-3-methylhept-2-enamide
SMILESCCCCC(C)=C(CC)C(=O)N(CCCC)CCCC
InChIInChI=1S/C18H35NO/c1-6-10-13-16(5)17(9-4)18(20)19(14-11-7-2)15-12-8-3/h6-15H2,1-5H3
InChIKeyLPJYYKNIVGBWEJ-UHFFFAOYSA-N
MW281.48 g/mol
LogP5.33
Rot. Bonds11

About N,N-dibutyl-2-ethyl-3-methylhept-2-enamide

N,N-dibutyl-2-ethyl-3-methylhept-2-enamide (PubChem CID 172760388) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N,N-dibutyl-2-ethyl-3-methylhept-2-enamide.

Molecular Properties

Compound NameN,N-dibutyl-2-ethyl-3-methylhept-2-enamide
PubChem CID172760388
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN,N-dibutyl-2-ethyl-3-methylhept-2-enamide
SMILESCCCCC(C)=C(CC)C(=O)N(CCCC)CCCC
InChIInChI=1S/C18H35NO/c1-6-10-13-16(5)17(9-4)18(20)19(14-11-7-2)15-12-8-3/h6-15H2,1-5H3
InChIKeyLPJYYKNIVGBWEJ-UHFFFAOYSA-N
XLogP5.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.48
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-ethyl-3-methylhept-2-enamide?
The IUPAC name of N,N-dibutyl-2-ethyl-3-methylhept-2-enamide (CID 172760388) is N,N-dibutyl-2-ethyl-3-methylhept-2-enamide.
What is the SMILES notation for N,N-dibutyl-2-ethyl-3-methylhept-2-enamide?
The canonical SMILES for N,N-dibutyl-2-ethyl-3-methylhept-2-enamide is CCCCC(C)=C(CC)C(=O)N(CCCC)CCCC.
What is the InChIKey of N,N-dibutyl-2-ethyl-3-methylhept-2-enamide?
The InChIKey is LPJYYKNIVGBWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-6-10-13-16(5)17(9-4)18(20)19(14-11-7-2)15-12-8-3/h6-15H2,1-5H3.
What are the key properties of N,N-dibutyl-2-ethyl-3-methylhept-2-enamide?
N,N-dibutyl-2-ethyl-3-methylhept-2-enamide has a molecular weight of 281.48 g/mol, XLogP of 5.33, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-ethyl-3-methylhept-2-enamide is sourced from PubChem (CID 172760388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).