(E)-4-morpholin-4-yl-N-(2,3,3-trimethylpentan-2-yl)but-2-enamide

C16H30N2O2 — CID 146512604

IUPAC(E)-4-morpholin-4-yl-N-(2,3,3-trimethylpentan-2-yl)but-2-enamide
SMILESCCC(C)(C)C(C)(C)NC(=O)/C=C/CN1CCOCC1
InChIInChI=1S/C16H30N2O2/c1-6-15(2,3)16(4,5)17-14(19)8-7-9-18-10-12-20-13-11-18/h7-8H,6,9-13H2,1-5H3,(H,17,19)/b8-7+
InChIKeyNLMNDHUQHUQJEW-BQYQJAHWSA-N
MW282.43 g/mol
LogP2.21
Rot. Bonds6

About (E)-4-morpholin-4-yl-N-(2,3,3-trimethylpentan-2-yl)but-2-enamide

(E)-4-morpholin-4-yl-N-(2,3,3-trimethylpentan-2-yl)but-2-enamide (PubChem CID 146512604) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (E)-4-morpholin-4-yl-N-(2,3,3-trimethylpentan-2-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-4-morpholin-4-yl-N-(2,3,3-trimethylpentan-2-yl)but-2-enamide
PubChem CID146512604
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name(E)-4-morpholin-4-yl-N-(2,3,3-trimethylpentan-2-yl)but-2-enamide
SMILESCCC(C)(C)C(C)(C)NC(=O)/C=C/CN1CCOCC1
InChIInChI=1S/C16H30N2O2/c1-6-15(2,3)16(4,5)17-14(19)8-7-9-18-10-12-20-13-11-18/h7-8H,6,9-13H2,1-5H3,(H,17,19)/b8-7+
InChIKeyNLMNDHUQHUQJEW-BQYQJAHWSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.21
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 (E)-4-morpholin-4-yl-N-(2,3,3-trimethylpentan-2-yl)but-2-enamide?
The IUPAC name of (E)-4-morpholin-4-yl-N-(2,3,3-trimethylpentan-2-yl)but-2-enamide (CID 146512604) is (E)-4-morpholin-4-yl-N-(2,3,3-trimethylpentan-2-yl)but-2-enamide.
What is the SMILES notation for (E)-4-morpholin-4-yl-N-(2,3,3-trimethylpentan-2-yl)but-2-enamide?
The canonical SMILES for (E)-4-morpholin-4-yl-N-(2,3,3-trimethylpentan-2-yl)but-2-enamide is CCC(C)(C)C(C)(C)NC(=O)/C=C/CN1CCOCC1.
What is the InChIKey of (E)-4-morpholin-4-yl-N-(2,3,3-trimethylpentan-2-yl)but-2-enamide?
The InChIKey is NLMNDHUQHUQJEW-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-6-15(2,3)16(4,5)17-14(19)8-7-9-18-10-12-20-13-11-18/h7-8H,6,9-13H2,1-5H3,(H,17,19)/b8-7+.
What are the key properties of (E)-4-morpholin-4-yl-N-(2,3,3-trimethylpentan-2-yl)but-2-enamide?
(E)-4-morpholin-4-yl-N-(2,3,3-trimethylpentan-2-yl)but-2-enamide has a molecular weight of 282.43 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-morpholin-4-yl-N-(2,3,3-trimethylpentan-2-yl)but-2-enamide is sourced from PubChem (CID 146512604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).