ethane;N-(3-methylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide

C15H30N2O2 — CID 177014747

IUPACethane;N-(3-methylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide
SMILESC=C(CN1CCOCC1)C(=O)NC(C)C(C)C.CC
InChIInChI=1S/C13H24N2O2.C2H6/c1-10(2)12(4)14-13(16)11(3)9-15-5-7-17-8-6-15;1-2/h10,12H,3,5-9H2,1-2,4H3,(H,14,16);1-2H3
InChIKeyJIOBTKBGRLYORF-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.06
Rot. Bonds5

About ethane;N-(3-methylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide

ethane;N-(3-methylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide (PubChem CID 177014747) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is ethane;N-(3-methylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Nameethane;N-(3-methylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide
PubChem CID177014747
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nameethane;N-(3-methylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide
SMILESC=C(CN1CCOCC1)C(=O)NC(C)C(C)C.CC
InChIInChI=1S/C13H24N2O2.C2H6/c1-10(2)12(4)14-13(16)11(3)9-15-5-7-17-8-6-15;1-2/h10,12H,3,5-9H2,1-2,4H3,(H,14,16);1-2H3
InChIKeyJIOBTKBGRLYORF-UHFFFAOYSA-N
XLogP2.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.06
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 ethane;N-(3-methylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide?
The IUPAC name of ethane;N-(3-methylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide (CID 177014747) is ethane;N-(3-methylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide.
What is the SMILES notation for ethane;N-(3-methylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide?
The canonical SMILES for ethane;N-(3-methylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide is C=C(CN1CCOCC1)C(=O)NC(C)C(C)C.CC.
What is the InChIKey of ethane;N-(3-methylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide?
The InChIKey is JIOBTKBGRLYORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2.C2H6/c1-10(2)12(4)14-13(16)11(3)9-15-5-7-17-8-6-15;1-2/h10,12H,3,5-9H2,1-2,4H3,(H,14,16);1-2H3.
What are the key properties of ethane;N-(3-methylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide?
ethane;N-(3-methylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide has a molecular weight of 270.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-methylbutan-2-yl)-2-(morpholin-4-ylmethyl)prop-2-enamide is sourced from PubChem (CID 177014747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).