(E)-N-(3-methylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide

C13H24N2O2 — CID 177013069

IUPAC(E)-N-(3-methylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide
SMILESCC(C)C(C)NC(=O)/C=C/CN1CCOCC1
InChIInChI=1S/C13H24N2O2/c1-11(2)12(3)14-13(16)5-4-6-15-7-9-17-10-8-15/h4-5,11-12H,6-10H2,1-3H3,(H,14,16)/b5-4+
InChIKeyFZESWSYJWRLKDM-SNAWJCMRSA-N
MW240.35 g/mol
LogP1.04
Rot. Bonds5

About (E)-N-(3-methylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide

(E)-N-(3-methylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide (PubChem CID 177013069) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (E)-N-(3-methylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-methylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide
PubChem CID177013069
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(E)-N-(3-methylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide
SMILESCC(C)C(C)NC(=O)/C=C/CN1CCOCC1
InChIInChI=1S/C13H24N2O2/c1-11(2)12(3)14-13(16)5-4-6-15-7-9-17-10-8-15/h4-5,11-12H,6-10H2,1-3H3,(H,14,16)/b5-4+
InChIKeyFZESWSYJWRLKDM-SNAWJCMRSA-N
XLogP1.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.04
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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Related Compounds

(E)-6-(azetidin-1-yl)-2-methylhex-4-en-3-one;(E)-4-(azetidin-1-yl)-N-propan-2-ylbut-2-enamide;(E)-2-methyl-6-morpholin-4-ylhex-4-en-3-one;(E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one;(E)-2-methyl-6-pyrrolidin-1-ylhex-4-en-3-one;(E)-4-morpholin-4-yl-N-propan-2-ylbut-2-enamide;(E)-4-piperidin-1-yl-N-propan-2-ylbut-2-enamide;(E)-N-propan-2-yl-4-pyrrolidin-1-ylbut-2-enamide
CID 163845991
(E)-4-morpholin-4-ylbut-2-enoic acid
CID 22466617
(E)-4-(4-ethylpiperazin-1-yl)-N-propan-2-ylbut-2-enamide
CID 145196932
(E)-N-(2,6-dimethylcyclohexyl)-4-morpholin-4-ylbut-2-enamide
CID 166318346
N-[(2S)-3-methylbutan-2-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide
CID 176757997
(E)-6-(4-cyclopropylpiperazin-1-yl)-2-methylhex-4-en-3-one;(E)-2-methyl-6-morpholin-4-ylhex-4-en-3-one
CID 159904343
N-(3-methylbutan-2-yl)-2-(morpholin-4-ylamino)acetamide
CID 83021379
N-(3-methylbutan-2-yl)-2-(2-morpholin-4-ylethylamino)acetamide
CID 60687185
(E,3S,4R)-3-hydroxy-4-methyl-7-morpholin-4-ylhept-5-enamide
CID 118882685
N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide
CID 133244954
ethyl (E)-4-(1,4-oxazepan-4-yl)but-2-enoate
CID 80549639
N-tert-butyl-4-(4-propan-2-ylpiperazin-1-yl)but-2-enamide
CID 123993232

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-methylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide?
The IUPAC name of (E)-N-(3-methylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide (CID 177013069) is (E)-N-(3-methylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide.
What is the SMILES notation for (E)-N-(3-methylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide?
The canonical SMILES for (E)-N-(3-methylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide is CC(C)C(C)NC(=O)/C=C/CN1CCOCC1.
What is the InChIKey of (E)-N-(3-methylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide?
The InChIKey is FZESWSYJWRLKDM-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(2)12(3)14-13(16)5-4-6-15-7-9-17-10-8-15/h4-5,11-12H,6-10H2,1-3H3,(H,14,16)/b5-4+.
What are the key properties of (E)-N-(3-methylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide?
(E)-N-(3-methylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide has a molecular weight of 240.35 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-methylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide is sourced from PubChem (CID 177013069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).