N-[(2S)-3-methylbutan-2-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide

C13H24N2O2 — CID 176757997

IUPACN-[(2S)-3-methylbutan-2-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide
SMILESC=C(CN1CCOCC1)C(=O)N[C@@H](C)C(C)C
InChIInChI=1S/C13H24N2O2/c1-10(2)12(4)14-13(16)11(3)9-15-5-7-17-8-6-15/h10,12H,3,5-9H2,1-2,4H3,(H,14,16)/t12-/m0/s1
InChIKeyROQZAXLXYARDHS-LBPRGKRZSA-N
MW240.35 g/mol
LogP1.04
Rot. Bonds5

About N-[(2S)-3-methylbutan-2-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide

N-[(2S)-3-methylbutan-2-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide (PubChem CID 176757997) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(2S)-3-methylbutan-2-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-[(2S)-3-methylbutan-2-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide
PubChem CID176757997
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[(2S)-3-methylbutan-2-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide
SMILESC=C(CN1CCOCC1)C(=O)N[C@@H](C)C(C)C
InChIInChI=1S/C13H24N2O2/c1-10(2)12(4)14-13(16)11(3)9-15-5-7-17-8-6-15/h10,12H,3,5-9H2,1-2,4H3,(H,14,16)/t12-/m0/s1
InChIKeyROQZAXLXYARDHS-LBPRGKRZSA-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'}

Analyze N-[(2S)-3-methylbutan-2-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide with MolForge

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide
CID 176757674
N-(2,2-dimethylpropyl)-2-(morpholin-4-ylmethyl)prop-2-enamide
CID 176757749
(E)-N-(3-methylbutan-2-yl)-4-morpholin-4-ylbut-2-enamide
CID 177013069
N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide
CID 133244954
N-(3-methylbutan-2-yl)-2-(2-morpholin-4-ylethylamino)acetamide
CID 60687185
N-(4-hydroxybutan-2-yl)-2-morpholin-4-ylacetamide
CID 110011691
N-(3-methylbutan-2-yl)-2-(morpholin-4-ylamino)acetamide
CID 83021379
2-(morpholin-4-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103068808
N-tert-butyl-N-methyl-2-(morpholin-4-ylmethyl)prop-2-enamide
CID 176757490
potassium (2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoate
CID 131737033
methyl 2-morpholin-4-ylacetate
CID 1268178
1,3-dimorpholin-4-ylpropan-2-one
CID 139559066

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methylbutan-2-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide?
The IUPAC name of N-[(2S)-3-methylbutan-2-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide (CID 176757997) is N-[(2S)-3-methylbutan-2-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-[(2S)-3-methylbutan-2-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide?
The canonical SMILES for N-[(2S)-3-methylbutan-2-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide is C=C(CN1CCOCC1)C(=O)N[C@@H](C)C(C)C.
What is the InChIKey of N-[(2S)-3-methylbutan-2-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide?
The InChIKey is ROQZAXLXYARDHS-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2)12(4)14-13(16)11(3)9-15-5-7-17-8-6-15/h10,12H,3,5-9H2,1-2,4H3,(H,14,16)/t12-/m0/s1.
What are the key properties of N-[(2S)-3-methylbutan-2-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide?
N-[(2S)-3-methylbutan-2-yl]-2-(morpholin-4-ylmethyl)prop-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 N-[(2S)-3-methylbutan-2-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide is sourced from PubChem (CID 176757997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).