(4Z)-N,N-diethyl-8-methyl-5-oxo-4-(3-oxobutan-2-ylidene)nonanamide

C18H31NO3 — CID 146245363

IUPAC(4Z)-N,N-diethyl-8-methyl-5-oxo-4-(3-oxobutan-2-ylidene)nonanamide
SMILESCCN(CC)C(=O)CC/C(C(=O)CCC(C)C)=C(\C)C(C)=O
InChIInChI=1S/C18H31NO3/c1-7-19(8-2)18(22)12-10-16(14(5)15(6)20)17(21)11-9-13(3)4/h13H,7-12H2,1-6H3/b16-14-
InChIKeyGTKSEJMHXNVGEJ-PEZBUJJGSA-N
MW309.45 g/mol
LogP3.55
Rot. Bonds10

About (4Z)-N,N-diethyl-8-methyl-5-oxo-4-(3-oxobutan-2-ylidene)nonanamide

(4Z)-N,N-diethyl-8-methyl-5-oxo-4-(3-oxobutan-2-ylidene)nonanamide (PubChem CID 146245363) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is (4Z)-N,N-diethyl-8-methyl-5-oxo-4-(3-oxobutan-2-ylidene)nonanamide.

Molecular Properties

Compound Name(4Z)-N,N-diethyl-8-methyl-5-oxo-4-(3-oxobutan-2-ylidene)nonanamide
PubChem CID146245363
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Name(4Z)-N,N-diethyl-8-methyl-5-oxo-4-(3-oxobutan-2-ylidene)nonanamide
SMILESCCN(CC)C(=O)CC/C(C(=O)CCC(C)C)=C(\C)C(C)=O
InChIInChI=1S/C18H31NO3/c1-7-19(8-2)18(22)12-10-16(14(5)15(6)20)17(21)11-9-13(3)4/h13H,7-12H2,1-6H3/b16-14-
InChIKeyGTKSEJMHXNVGEJ-PEZBUJJGSA-N
XLogP3.55
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (4Z)-N,N-diethyl-8-methyl-5-oxo-4-(3-oxobutan-2-ylidene)nonanamide?
The IUPAC name of (4Z)-N,N-diethyl-8-methyl-5-oxo-4-(3-oxobutan-2-ylidene)nonanamide (CID 146245363) is (4Z)-N,N-diethyl-8-methyl-5-oxo-4-(3-oxobutan-2-ylidene)nonanamide.
What is the SMILES notation for (4Z)-N,N-diethyl-8-methyl-5-oxo-4-(3-oxobutan-2-ylidene)nonanamide?
The canonical SMILES for (4Z)-N,N-diethyl-8-methyl-5-oxo-4-(3-oxobutan-2-ylidene)nonanamide is CCN(CC)C(=O)CC/C(C(=O)CCC(C)C)=C(\C)C(C)=O.
What is the InChIKey of (4Z)-N,N-diethyl-8-methyl-5-oxo-4-(3-oxobutan-2-ylidene)nonanamide?
The InChIKey is GTKSEJMHXNVGEJ-PEZBUJJGSA-N. The full InChI is InChI=1S/C18H31NO3/c1-7-19(8-2)18(22)12-10-16(14(5)15(6)20)17(21)11-9-13(3)4/h13H,7-12H2,1-6H3/b16-14-.
What are the key properties of (4Z)-N,N-diethyl-8-methyl-5-oxo-4-(3-oxobutan-2-ylidene)nonanamide?
(4Z)-N,N-diethyl-8-methyl-5-oxo-4-(3-oxobutan-2-ylidene)nonanamide has a molecular weight of 309.45 g/mol, XLogP of 3.55, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N,N-diethyl-8-methyl-5-oxo-4-(3-oxobutan-2-ylidene)nonanamide is sourced from PubChem (CID 146245363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).