N-[2-(2,3-dihydroxypropoxy)ethyl]-2-methylprop-2-enamide;N-[2-[3-(1-ethoxyethoxy)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide;N-(2-hydroxyethyl)-2-methylprop-2-enamide

C28H53N3O11 — CID 157251319

IUPACN-[2-(2,3-dihydroxypropoxy)ethyl]-2-methylprop-2-enamide;N-[2-[3-(1-ethoxyethoxy)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide;N-(2-hydroxyethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCO.C=C(C)C(=O)NCCOCC(O)CO.C=C(C)C(=O)NCCOCC(O)COC(C)OCC
InChIInChI=1S/C13H25NO5.C9H17NO4.C6H11NO2/c1-5-18-11(4)19-9-12(15)8-17-7-6-14-13(16)10(2)3;1-7(2)9(13)10-3-4-14-6-8(12)5-11;1-5(2)6(9)7-3-4-8/h11-12,15H,2,5-9H2,1,3-4H3,(H,14,16);8,11-12H,1,3-6H2,2H3,(H,10,13);8H,1,3-4H2,2H3,(H,7,9)
InChIKeyAWJLTHPTZVNGHP-UHFFFAOYSA-N
MW607.74 g/mol
LogP-0.83
Rot. Bonds21

About N-[2-(2,3-dihydroxypropoxy)ethyl]-2-methylprop-2-enamide;N-[2-[3-(1-ethoxyethoxy)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide;N-(2-hydroxyethyl)-2-methylprop-2-enamide

N-[2-(2,3-dihydroxypropoxy)ethyl]-2-methylprop-2-enamide;N-[2-[3-(1-ethoxyethoxy)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide;N-(2-hydroxyethyl)-2-methylprop-2-enamide (PubChem CID 157251319) has the molecular formula C28H53N3O11 and a molecular weight of 607.74 g/mol. Its IUPAC name is N-[2-(2,3-dihydroxypropoxy)ethyl]-2-methylprop-2-enamide;N-[2-[3-(1-ethoxyethoxy)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide;N-(2-hydroxyethyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroxypropoxy)ethyl]-2-methylprop-2-enamide;N-[2-[3-(1-ethoxyethoxy)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide;N-(2-hydroxyethyl)-2-methylprop-2-enamide
PubChem CID157251319
Molecular FormulaC28H53N3O11
Molecular Weight607.74 g/mol
Exact Mass607.37
IUPAC NameN-[2-(2,3-dihydroxypropoxy)ethyl]-2-methylprop-2-enamide;N-[2-[3-(1-ethoxyethoxy)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide;N-(2-hydroxyethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCO.C=C(C)C(=O)NCCOCC(O)CO.C=C(C)C(=O)NCCOCC(O)COC(C)OCC
InChIInChI=1S/C13H25NO5.C9H17NO4.C6H11NO2/c1-5-18-11(4)19-9-12(15)8-17-7-6-14-13(16)10(2)3;1-7(2)9(13)10-3-4-14-6-8(12)5-11;1-5(2)6(9)7-3-4-8/h11-12,15H,2,5-9H2,1,3-4H3,(H,14,16);8,11-12H,1,3-6H2,2H3,(H,10,13);8H,1,3-4H2,2H3,(H,7,9)
InChIKeyAWJLTHPTZVNGHP-UHFFFAOYSA-N
XLogP-0.83
TPSA205.14 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500607.74
LogP ≤ 5-0.83
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroxypropoxy)ethyl]-2-methylprop-2-enamide;N-[2-[3-(1-ethoxyethoxy)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide;N-(2-hydroxyethyl)-2-methylprop-2-enamide?
The IUPAC name of N-[2-(2,3-dihydroxypropoxy)ethyl]-2-methylprop-2-enamide;N-[2-[3-(1-ethoxyethoxy)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide;N-(2-hydroxyethyl)-2-methylprop-2-enamide (CID 157251319) is N-[2-(2,3-dihydroxypropoxy)ethyl]-2-methylprop-2-enamide;N-[2-[3-(1-ethoxyethoxy)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide;N-(2-hydroxyethyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-(2,3-dihydroxypropoxy)ethyl]-2-methylprop-2-enamide;N-[2-[3-(1-ethoxyethoxy)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide;N-(2-hydroxyethyl)-2-methylprop-2-enamide?
The canonical SMILES for N-[2-(2,3-dihydroxypropoxy)ethyl]-2-methylprop-2-enamide;N-[2-[3-(1-ethoxyethoxy)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide;N-(2-hydroxyethyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCCO.C=C(C)C(=O)NCCOCC(O)CO.C=C(C)C(=O)NCCOCC(O)COC(C)OCC.
What is the InChIKey of N-[2-(2,3-dihydroxypropoxy)ethyl]-2-methylprop-2-enamide;N-[2-[3-(1-ethoxyethoxy)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide;N-(2-hydroxyethyl)-2-methylprop-2-enamide?
The InChIKey is AWJLTHPTZVNGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5.C9H17NO4.C6H11NO2/c1-5-18-11(4)19-9-12(15)8-17-7-6-14-13(16)10(2)3;1-7(2)9(13)10-3-4-14-6-8(12)5-11;1-5(2)6(9)7-3-4-8/h11-12,15H,2,5-9H2,1,3-4H3,(H,14,16);8,11-12H,1,3-6H2,2H3,(H,10,13);8H,1,3-4H2,2H3,(H,7,9).
What are the key properties of N-[2-(2,3-dihydroxypropoxy)ethyl]-2-methylprop-2-enamide;N-[2-[3-(1-ethoxyethoxy)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide;N-(2-hydroxyethyl)-2-methylprop-2-enamide?
N-[2-(2,3-dihydroxypropoxy)ethyl]-2-methylprop-2-enamide;N-[2-[3-(1-ethoxyethoxy)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide;N-(2-hydroxyethyl)-2-methylprop-2-enamide has a molecular weight of 607.74 g/mol, XLogP of -0.83, 21 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroxypropoxy)ethyl]-2-methylprop-2-enamide;N-[2-[3-(1-ethoxyethoxy)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide;N-(2-hydroxyethyl)-2-methylprop-2-enamide is sourced from PubChem (CID 157251319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).