N,N-bis(1-hydroxyethyl)-2-methylprop-2-enamide

C8H15NO3 — CID 23297267

IUPACN,N-bis(1-hydroxyethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(C(C)O)C(C)O
InChIInChI=1S/C8H15NO3/c1-5(2)8(12)9(6(3)10)7(4)11/h6-7,10-11H,1H2,2-4H3
InChIKeyMJGTXMYGIOPHBL-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.07
Rot. Bonds3

About N,N-bis(1-hydroxyethyl)-2-methylprop-2-enamide

N,N-bis(1-hydroxyethyl)-2-methylprop-2-enamide (PubChem CID 23297267) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is N,N-bis(1-hydroxyethyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN,N-bis(1-hydroxyethyl)-2-methylprop-2-enamide
PubChem CID23297267
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC NameN,N-bis(1-hydroxyethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(C(C)O)C(C)O
InChIInChI=1S/C8H15NO3/c1-5(2)8(12)9(6(3)10)7(4)11/h6-7,10-11H,1H2,2-4H3
InChIKeyMJGTXMYGIOPHBL-UHFFFAOYSA-N
XLogP0.07
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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,N-Diethylmethacrylamide
CID 228225
2-Propenamide, N,N-bis(2-hydroxyethyl)-2-methyl-
CID 3084889
N,N-diethyl-2-(hydroxymethyl)prop-2-enamide
CID 12142599
N-(2-hydroxyethyl)-N,2-dimethylprop-2-enamide
CID 13531438
N,N-bis(hydroxymethyl)-2-methylprop-2-enamide
CID 13710293
N-(2-cyanoethyl)-N-(hydroxymethyl)-2-methylprop-2-enamide
CID 15685480
N-(hydroxymethyl)-2-methyl-N-(2-methylpropyl)prop-2-enamide
CID 17936728
N-(1-hydroxyethyl)-N-(3-hydroxypropyl)-2-methylprop-2-enamide
CID 18413449
N-(hydroxymethyl)-N-(2-methylpropyl)prop-2-enamide
CID 18520794
N-(2-hydroxyethyl)-N-(hydroxymethyl)-2-methylprop-2-enamide
CID 18792570
N-ethyl-N-(hydroxymethyl)-2-methylprop-2-enamide
CID 18982596
N-(hydroxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide
CID 19038709

Frequently Asked Questions

What is the IUPAC name of N,N-bis(1-hydroxyethyl)-2-methylprop-2-enamide?
The IUPAC name of N,N-bis(1-hydroxyethyl)-2-methylprop-2-enamide (CID 23297267) is N,N-bis(1-hydroxyethyl)-2-methylprop-2-enamide.
What is the SMILES notation for N,N-bis(1-hydroxyethyl)-2-methylprop-2-enamide?
The canonical SMILES for N,N-bis(1-hydroxyethyl)-2-methylprop-2-enamide is C=C(C)C(=O)N(C(C)O)C(C)O.
What is the InChIKey of N,N-bis(1-hydroxyethyl)-2-methylprop-2-enamide?
The InChIKey is MJGTXMYGIOPHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5(2)8(12)9(6(3)10)7(4)11/h6-7,10-11H,1H2,2-4H3.
What are the key properties of N,N-bis(1-hydroxyethyl)-2-methylprop-2-enamide?
N,N-bis(1-hydroxyethyl)-2-methylprop-2-enamide has a molecular weight of 173.21 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1-hydroxyethyl)-2-methylprop-2-enamide is sourced from PubChem (CID 23297267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).