N,N-bis(hydroxymethyl)prop-2-enamide;N-ethyl-N-(2-hydroxyethyl)prop-2-enamide

C12H22N2O5 — CID 87839337

IUPACN,N-bis(hydroxymethyl)prop-2-enamide;N-ethyl-N-(2-hydroxyethyl)prop-2-enamide
SMILESC=CC(=O)N(CC)CCO.C=CC(=O)N(CO)CO
InChIInChI=1S/C7H13NO2.C5H9NO3/c1-3-7(10)8(4-2)5-6-9;1-2-5(9)6(3-7)4-8/h3,9H,1,4-6H2,2H3;2,7-8H,1,3-4H2
InChIKeyOTYNRXUKCGRURQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP-1.09
Rot. Bonds7

About N,N-bis(hydroxymethyl)prop-2-enamide;N-ethyl-N-(2-hydroxyethyl)prop-2-enamide

N,N-bis(hydroxymethyl)prop-2-enamide;N-ethyl-N-(2-hydroxyethyl)prop-2-enamide (PubChem CID 87839337) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is N,N-bis(hydroxymethyl)prop-2-enamide;N-ethyl-N-(2-hydroxyethyl)prop-2-enamide.

Molecular Properties

Compound NameN,N-bis(hydroxymethyl)prop-2-enamide;N-ethyl-N-(2-hydroxyethyl)prop-2-enamide
PubChem CID87839337
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC NameN,N-bis(hydroxymethyl)prop-2-enamide;N-ethyl-N-(2-hydroxyethyl)prop-2-enamide
SMILESC=CC(=O)N(CC)CCO.C=CC(=O)N(CO)CO
InChIInChI=1S/C7H13NO2.C5H9NO3/c1-3-7(10)8(4-2)5-6-9;1-2-5(9)6(3-7)4-8/h3,9H,1,4-6H2,2H3;2,7-8H,1,3-4H2
InChIKeyOTYNRXUKCGRURQ-UHFFFAOYSA-N
XLogP-1.09
TPSA101.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N-methylprop-2-enamide
CID 10129965
2-Propenamide, N,N-bis(2-hydroxyethyl)-
CID 11116327
(2E,4E)-N,N-bis(2-hydroxyethyl)hexa-2,4-dienamide
CID 44443274
n,n-Bis(2-methoxyethyl)acrylamide
CID 10035367
N-2-hydroxyethyl-N-methylcrotonamide
CID 60747686
N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 84572947
N-allyl-N-(2-hydroxyethyl)acrylamide
CID 87249562
acryl N-hydroxyethyl acrylamide
CID 87520585
(E)-N,N,N',N'-tetrakis(2-hydroxyethyl)but-2-enediamide
CID 15325393
N-ethyl-N-(hydroxymethyl)prop-2-enamide
CID 18366429
N-(2-hydroxyethyl)-N-(hydroxymethyl)prop-2-enamide
CID 18792569
N,N-bis(2-hydroxypropyl)prop-2-enamide
CID 19437431

Frequently Asked Questions

What is the IUPAC name of N,N-bis(hydroxymethyl)prop-2-enamide;N-ethyl-N-(2-hydroxyethyl)prop-2-enamide?
The IUPAC name of N,N-bis(hydroxymethyl)prop-2-enamide;N-ethyl-N-(2-hydroxyethyl)prop-2-enamide (CID 87839337) is N,N-bis(hydroxymethyl)prop-2-enamide;N-ethyl-N-(2-hydroxyethyl)prop-2-enamide.
What is the SMILES notation for N,N-bis(hydroxymethyl)prop-2-enamide;N-ethyl-N-(2-hydroxyethyl)prop-2-enamide?
The canonical SMILES for N,N-bis(hydroxymethyl)prop-2-enamide;N-ethyl-N-(2-hydroxyethyl)prop-2-enamide is C=CC(=O)N(CC)CCO.C=CC(=O)N(CO)CO.
What is the InChIKey of N,N-bis(hydroxymethyl)prop-2-enamide;N-ethyl-N-(2-hydroxyethyl)prop-2-enamide?
The InChIKey is OTYNRXUKCGRURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C5H9NO3/c1-3-7(10)8(4-2)5-6-9;1-2-5(9)6(3-7)4-8/h3,9H,1,4-6H2,2H3;2,7-8H,1,3-4H2.
What are the key properties of N,N-bis(hydroxymethyl)prop-2-enamide;N-ethyl-N-(2-hydroxyethyl)prop-2-enamide?
N,N-bis(hydroxymethyl)prop-2-enamide;N-ethyl-N-(2-hydroxyethyl)prop-2-enamide has a molecular weight of 274.32 g/mol, XLogP of -1.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(hydroxymethyl)prop-2-enamide;N-ethyl-N-(2-hydroxyethyl)prop-2-enamide is sourced from PubChem (CID 87839337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).