(Z)-N-(2-methyl-4-oxopentan-3-yl)-4-oxo-5-propan-2-yloxypent-2-enamide

C14H23NO4 — CID 59571326

IUPAC(Z)-N-(2-methyl-4-oxopentan-3-yl)-4-oxo-5-propan-2-yloxypent-2-enamide
SMILESCC(=O)C(NC(=O)/C=C\C(=O)COC(C)C)C(C)C
InChIInChI=1S/C14H23NO4/c1-9(2)14(11(5)16)15-13(18)7-6-12(17)8-19-10(3)4/h6-7,9-10,14H,8H2,1-5H3,(H,15,18)/b7-6-
InChIKeyMFRTVXGIMMCJRH-SREVYHEPSA-N
MW269.34 g/mol
LogP1.27
Rot. Bonds8

About (Z)-N-(2-methyl-4-oxopentan-3-yl)-4-oxo-5-propan-2-yloxypent-2-enamide

(Z)-N-(2-methyl-4-oxopentan-3-yl)-4-oxo-5-propan-2-yloxypent-2-enamide (PubChem CID 59571326) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is (Z)-N-(2-methyl-4-oxopentan-3-yl)-4-oxo-5-propan-2-yloxypent-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2-methyl-4-oxopentan-3-yl)-4-oxo-5-propan-2-yloxypent-2-enamide
PubChem CID59571326
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name(Z)-N-(2-methyl-4-oxopentan-3-yl)-4-oxo-5-propan-2-yloxypent-2-enamide
SMILESCC(=O)C(NC(=O)/C=C\C(=O)COC(C)C)C(C)C
InChIInChI=1S/C14H23NO4/c1-9(2)14(11(5)16)15-13(18)7-6-12(17)8-19-10(3)4/h6-7,9-10,14H,8H2,1-5H3,(H,15,18)/b7-6-
InChIKeyMFRTVXGIMMCJRH-SREVYHEPSA-N
XLogP1.27
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (Z)-N-(2-methyl-4-oxopentan-3-yl)-4-oxo-5-propan-2-yloxypent-2-enamide?
The IUPAC name of (Z)-N-(2-methyl-4-oxopentan-3-yl)-4-oxo-5-propan-2-yloxypent-2-enamide (CID 59571326) is (Z)-N-(2-methyl-4-oxopentan-3-yl)-4-oxo-5-propan-2-yloxypent-2-enamide.
What is the SMILES notation for (Z)-N-(2-methyl-4-oxopentan-3-yl)-4-oxo-5-propan-2-yloxypent-2-enamide?
The canonical SMILES for (Z)-N-(2-methyl-4-oxopentan-3-yl)-4-oxo-5-propan-2-yloxypent-2-enamide is CC(=O)C(NC(=O)/C=C\C(=O)COC(C)C)C(C)C.
What is the InChIKey of (Z)-N-(2-methyl-4-oxopentan-3-yl)-4-oxo-5-propan-2-yloxypent-2-enamide?
The InChIKey is MFRTVXGIMMCJRH-SREVYHEPSA-N. The full InChI is InChI=1S/C14H23NO4/c1-9(2)14(11(5)16)15-13(18)7-6-12(17)8-19-10(3)4/h6-7,9-10,14H,8H2,1-5H3,(H,15,18)/b7-6-.
What are the key properties of (Z)-N-(2-methyl-4-oxopentan-3-yl)-4-oxo-5-propan-2-yloxypent-2-enamide?
(Z)-N-(2-methyl-4-oxopentan-3-yl)-4-oxo-5-propan-2-yloxypent-2-enamide has a molecular weight of 269.34 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-methyl-4-oxopentan-3-yl)-4-oxo-5-propan-2-yloxypent-2-enamide is sourced from PubChem (CID 59571326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).