ethane;(E)-N-ethyl-2-(morpholin-4-ylmethyl)but-2-enamide

C13H26N2O2 — CID 177014355

IUPACethane;(E)-N-ethyl-2-(morpholin-4-ylmethyl)but-2-enamide
SMILESC/C=C(\CN1CCOCC1)C(=O)NCC.CC
InChIInChI=1S/C11H20N2O2.C2H6/c1-3-10(11(14)12-4-2)9-13-5-7-15-8-6-13;1-2/h3H,4-9H2,1-2H3,(H,12,14);1-2H3/b10-3+;
InChIKeyYNHQYECCHFPUOX-ORVWSRSGSA-N
MW242.36 g/mol
LogP1.43
Rot. Bonds4

About ethane;(E)-N-ethyl-2-(morpholin-4-ylmethyl)but-2-enamide

ethane;(E)-N-ethyl-2-(morpholin-4-ylmethyl)but-2-enamide (PubChem CID 177014355) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethane;(E)-N-ethyl-2-(morpholin-4-ylmethyl)but-2-enamide.

Molecular Properties

Compound Nameethane;(E)-N-ethyl-2-(morpholin-4-ylmethyl)but-2-enamide
PubChem CID177014355
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethane;(E)-N-ethyl-2-(morpholin-4-ylmethyl)but-2-enamide
SMILESC/C=C(\CN1CCOCC1)C(=O)NCC.CC
InChIInChI=1S/C11H20N2O2.C2H6/c1-3-10(11(14)12-4-2)9-13-5-7-15-8-6-13;1-2/h3H,4-9H2,1-2H3,(H,12,14);1-2H3/b10-3+;
InChIKeyYNHQYECCHFPUOX-ORVWSRSGSA-N
XLogP1.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.43
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

S-(2-morpholin-4-ylacetyl)sulfanyl 2-morpholin-4-ylethanethioate
CID 57225107
(E)-1-morpholin-4-ylpent-3-en-2-one
CID 146386174
ethane;N-methyl-2-morpholin-4-ylacetamide
CID 143296562
methyl 2-morpholin-4-ylacetate
CID 1268178
1,3-dimorpholin-4-ylpropan-2-one
CID 139559066
1-morpholin-4-ylpropan-2-one;hydrochloride
CID 67491798
N-ethyl-3-(3-morpholin-4-ylpropylamino)propanamide
CID 55024787
ethane;4-morpholin-4-ylbutan-1-ol
CID 162683886
N-(ethylsulfamoyl)-2-morpholin-4-ylacetamide
CID 153399040
N'-methyl-2-morpholin-4-ylacetohydrazide
CID 142817300
2-[13,16-bis(carboxymethyl)-7-ethyl-1,10-dioxa-4,7,13,16-tetrazacyclooctadec-4-yl]acetic acid
CID 156838378
N-(2,2-dimethylpropyl)-2-(morpholin-4-ylmethyl)prop-2-enamide
CID 176757749

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-N-ethyl-2-(morpholin-4-ylmethyl)but-2-enamide?
The IUPAC name of ethane;(E)-N-ethyl-2-(morpholin-4-ylmethyl)but-2-enamide (CID 177014355) is ethane;(E)-N-ethyl-2-(morpholin-4-ylmethyl)but-2-enamide.
What is the SMILES notation for ethane;(E)-N-ethyl-2-(morpholin-4-ylmethyl)but-2-enamide?
The canonical SMILES for ethane;(E)-N-ethyl-2-(morpholin-4-ylmethyl)but-2-enamide is C/C=C(\CN1CCOCC1)C(=O)NCC.CC.
What is the InChIKey of ethane;(E)-N-ethyl-2-(morpholin-4-ylmethyl)but-2-enamide?
The InChIKey is YNHQYECCHFPUOX-ORVWSRSGSA-N. The full InChI is InChI=1S/C11H20N2O2.C2H6/c1-3-10(11(14)12-4-2)9-13-5-7-15-8-6-13;1-2/h3H,4-9H2,1-2H3,(H,12,14);1-2H3/b10-3+;.
What are the key properties of ethane;(E)-N-ethyl-2-(morpholin-4-ylmethyl)but-2-enamide?
ethane;(E)-N-ethyl-2-(morpholin-4-ylmethyl)but-2-enamide has a molecular weight of 242.36 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-N-ethyl-2-(morpholin-4-ylmethyl)but-2-enamide is sourced from PubChem (CID 177014355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).