N,N-bis(2-hydroxyethyl)prop-2-enamide;ethane

C9H19NO3 — CID 176950380

IUPACN,N-bis(2-hydroxyethyl)prop-2-enamide;ethane
SMILESC=CC(=O)N(CCO)CCO.CC
InChIInChI=1S/C7H13NO3.C2H6/c1-2-7(11)8(3-5-9)4-6-10;1-2/h2,9-10H,1,3-6H2;1-2H3
InChIKeyMNAOAJVWQPEGLO-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.01
Rot. Bonds5

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

N,N-bis(2-hydroxyethyl)prop-2-enamide;ethane (PubChem CID 176950380) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)prop-2-enamide;ethane.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)prop-2-enamide;ethane
PubChem CID176950380
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC NameN,N-bis(2-hydroxyethyl)prop-2-enamide;ethane
SMILESC=CC(=O)N(CCO)CCO.CC
InChIInChI=1S/C7H13NO3.C2H6/c1-2-7(11)8(3-5-9)4-6-10;1-2/h2,9-10H,1,3-6H2;1-2H3
InChIKeyMNAOAJVWQPEGLO-UHFFFAOYSA-N
XLogP0.01
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(5-hydroxypentyl)prop-2-enamide
CID 87130034
ethane;N-prop-2-enyl-N-propylprop-2-enamide
CID 143794226
N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 166414550
N-[3-(diethylamino)propyl]-N-ethylprop-2-enamide
CID 102991803
N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 84572947
N-(5-hydroxypentyl)-N-prop-2-enylprop-2-enamide
CID 135128737
N-(3-aminopropyl)-N-propylprop-2-enamide
CID 150203035
N,N-bis[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]prop-2-enamide
CID 134446258
N-(2-hydroxyethyl)-N-prop-2-enylbut-2-ynamide
CID 107989651
N-butyl-N-(4-oxobutyl)prop-2-enamide
CID 90459536
N-[2-[di(prop-2-enoyl)amino]ethyl]-N-prop-2-enoylprop-2-enamide
CID 90960823
(E)-N,N-bis(2-hydroxyethyl)-3-prop-2-enylsulfonylprop-2-enamide
CID 88788500

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)prop-2-enamide;ethane?
The IUPAC name of N,N-bis(2-hydroxyethyl)prop-2-enamide;ethane (CID 176950380) is N,N-bis(2-hydroxyethyl)prop-2-enamide;ethane.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)prop-2-enamide;ethane?
The canonical SMILES for N,N-bis(2-hydroxyethyl)prop-2-enamide;ethane is C=CC(=O)N(CCO)CCO.CC.
What is the InChIKey of N,N-bis(2-hydroxyethyl)prop-2-enamide;ethane?
The InChIKey is MNAOAJVWQPEGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.C2H6/c1-2-7(11)8(3-5-9)4-6-10;1-2/h2,9-10H,1,3-6H2;1-2H3.
What are the key properties of N,N-bis(2-hydroxyethyl)prop-2-enamide;ethane?
N,N-bis(2-hydroxyethyl)prop-2-enamide;ethane has a molecular weight of 189.25 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)prop-2-enamide;ethane is sourced from PubChem (CID 176950380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).