(Z)-2-methyl-N-(2-methyl-2-morpholin-4-ylbutyl)pent-2-enamide

C15H28N2O2 — CID 47031299

IUPAC(Z)-2-methyl-N-(2-methyl-2-morpholin-4-ylbutyl)pent-2-enamide
SMILESCC/C=C(/C)C(=O)NCC(C)(CC)N1CCOCC1
InChIInChI=1S/C15H28N2O2/c1-5-7-13(3)14(18)16-12-15(4,6-2)17-8-10-19-11-9-17/h7H,5-6,8-12H2,1-4H3,(H,16,18)/b13-7-
InChIKeyUEMHNLGWNHNQDC-QPEQYQDCSA-N
MW268.40 g/mol
LogP1.96
Rot. Bonds6

About (Z)-2-methyl-N-(2-methyl-2-morpholin-4-ylbutyl)pent-2-enamide

(Z)-2-methyl-N-(2-methyl-2-morpholin-4-ylbutyl)pent-2-enamide (PubChem CID 47031299) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (Z)-2-methyl-N-(2-methyl-2-morpholin-4-ylbutyl)pent-2-enamide.

Molecular Properties

Compound Name(Z)-2-methyl-N-(2-methyl-2-morpholin-4-ylbutyl)pent-2-enamide
PubChem CID47031299
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(Z)-2-methyl-N-(2-methyl-2-morpholin-4-ylbutyl)pent-2-enamide
SMILESCC/C=C(/C)C(=O)NCC(C)(CC)N1CCOCC1
InChIInChI=1S/C15H28N2O2/c1-5-7-13(3)14(18)16-12-15(4,6-2)17-8-10-19-11-9-17/h7H,5-6,8-12H2,1-4H3,(H,16,18)/b13-7-
InChIKeyUEMHNLGWNHNQDC-QPEQYQDCSA-N
XLogP1.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
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 (Z)-2-methyl-N-(2-methyl-2-morpholin-4-ylbutyl)pent-2-enamide?
The IUPAC name of (Z)-2-methyl-N-(2-methyl-2-morpholin-4-ylbutyl)pent-2-enamide (CID 47031299) is (Z)-2-methyl-N-(2-methyl-2-morpholin-4-ylbutyl)pent-2-enamide.
What is the SMILES notation for (Z)-2-methyl-N-(2-methyl-2-morpholin-4-ylbutyl)pent-2-enamide?
The canonical SMILES for (Z)-2-methyl-N-(2-methyl-2-morpholin-4-ylbutyl)pent-2-enamide is CC/C=C(/C)C(=O)NCC(C)(CC)N1CCOCC1.
What is the InChIKey of (Z)-2-methyl-N-(2-methyl-2-morpholin-4-ylbutyl)pent-2-enamide?
The InChIKey is UEMHNLGWNHNQDC-QPEQYQDCSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-5-7-13(3)14(18)16-12-15(4,6-2)17-8-10-19-11-9-17/h7H,5-6,8-12H2,1-4H3,(H,16,18)/b13-7-.
What are the key properties of (Z)-2-methyl-N-(2-methyl-2-morpholin-4-ylbutyl)pent-2-enamide?
(Z)-2-methyl-N-(2-methyl-2-morpholin-4-ylbutyl)pent-2-enamide has a molecular weight of 268.40 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-N-(2-methyl-2-morpholin-4-ylbutyl)pent-2-enamide is sourced from PubChem (CID 47031299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).