ethane;(Z)-3-[[5-ethynyl-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formyl-2-methylprop-2-enamide

C15H24N2O4 — CID 163227450

IUPACethane;(Z)-3-[[5-ethynyl-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formyl-2-methylprop-2-enamide
SMILESC#CC1(CO)CCC(N(C)/C=C(/C)C(=O)NC=O)O1.CC
InChIInChI=1S/C13H18N2O4.C2H6/c1-4-13(8-16)6-5-11(19-13)15(3)7-10(2)12(18)14-9-17;1-2/h1,7,9,11,16H,5-6,8H2,2-3H3,(H,14,17,18);1-2H3/b10-7-;
InChIKeyMPGZDONQFJYELG-VEZAGKLZSA-N
MW296.37 g/mol
LogP0.62
Rot. Bonds5

About ethane;(Z)-3-[[5-ethynyl-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formyl-2-methylprop-2-enamide

ethane;(Z)-3-[[5-ethynyl-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formyl-2-methylprop-2-enamide (PubChem CID 163227450) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethane;(Z)-3-[[5-ethynyl-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formyl-2-methylprop-2-enamide.

Molecular Properties

Compound Nameethane;(Z)-3-[[5-ethynyl-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formyl-2-methylprop-2-enamide
PubChem CID163227450
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nameethane;(Z)-3-[[5-ethynyl-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formyl-2-methylprop-2-enamide
SMILESC#CC1(CO)CCC(N(C)/C=C(/C)C(=O)NC=O)O1.CC
InChIInChI=1S/C13H18N2O4.C2H6/c1-4-13(8-16)6-5-11(19-13)15(3)7-10(2)12(18)14-9-17;1-2/h1,7,9,11,16H,5-6,8H2,2-3H3,(H,14,17,18);1-2H3/b10-7-;
InChIKeyMPGZDONQFJYELG-VEZAGKLZSA-N
XLogP0.62
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-formyl-3-[[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enamide
CID 178052092
(Z)-3-[[5-fluoro-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formylprop-2-enamide
CID 139479096
(Z)-N-formyl-3-[(5-formyl-4-hydroxyoxolan-2-yl)-methylamino]-2-methylprop-2-enamide;iridium
CID 169252444
(E)-2-bromo-N-formyl-3-[[5-(hydroxymethyl)oxolan-2-yl]-methylamino]prop-2-enamide
CID 178018389
ethanol;(E)-2-fluoro-3-[[3-fluoro-5-(hydroxymethyl)-5-methyloxolan-2-yl]-methylamino]-N-formylprop-2-enamide
CID 169252383
(Z)-3-[[(5R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-[(iodoamino)methyl]-5-methyl-2H-furan-2-yl]-methylamino]-N-formyl-2-methylprop-2-enamide
CID 168936489
(Z)-N-formyl-3-[(4-hydroxy-3-methoxybutyl)-methylamino]-2-methylprop-2-enamide
CID 145471178
N-(cyclopropylmethyl)-1-hydroxy-N-methylcyclobutane-1-carboxamide
CID 159127981
ethane;N-formyl-2,3-dimethylbut-2-enamide
CID 142271872
[(2R,5S)-2-ethynyl-5-methyloxolan-2-yl]methyl pentanoate
CID 167274839
2-[(1S,2S)-2-cyclohexyl-2-(hydroxymethyl)cyclobutyl]-N,N-dimethylacetamide
CID 102421353
N-[(NZ)-N-[[[5-(hydroxymethyl)oxolan-2-yl]-methylamino]methylidene]-N'-methylcarbamimidoyl]formamide
CID 144762773

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-3-[[5-ethynyl-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formyl-2-methylprop-2-enamide?
The IUPAC name of ethane;(Z)-3-[[5-ethynyl-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formyl-2-methylprop-2-enamide (CID 163227450) is ethane;(Z)-3-[[5-ethynyl-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formyl-2-methylprop-2-enamide.
What is the SMILES notation for ethane;(Z)-3-[[5-ethynyl-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formyl-2-methylprop-2-enamide?
The canonical SMILES for ethane;(Z)-3-[[5-ethynyl-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formyl-2-methylprop-2-enamide is C#CC1(CO)CCC(N(C)/C=C(/C)C(=O)NC=O)O1.CC.
What is the InChIKey of ethane;(Z)-3-[[5-ethynyl-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formyl-2-methylprop-2-enamide?
The InChIKey is MPGZDONQFJYELG-VEZAGKLZSA-N. The full InChI is InChI=1S/C13H18N2O4.C2H6/c1-4-13(8-16)6-5-11(19-13)15(3)7-10(2)12(18)14-9-17;1-2/h1,7,9,11,16H,5-6,8H2,2-3H3,(H,14,17,18);1-2H3/b10-7-;.
What are the key properties of ethane;(Z)-3-[[5-ethynyl-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formyl-2-methylprop-2-enamide?
ethane;(Z)-3-[[5-ethynyl-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formyl-2-methylprop-2-enamide has a molecular weight of 296.37 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-3-[[5-ethynyl-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formyl-2-methylprop-2-enamide is sourced from PubChem (CID 163227450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).