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

C7H13NO3 — CID 11116327

IUPACN,N-bis(2-hydroxyethyl)prop-2-enamide
SMILESC=CC(=O)N(CCO)CCO
InChIInChI=1S/C7H13NO3/c1-2-7(11)8(3-5-9)4-6-10/h2,9-10H,1,3-6H2
InChIKeyXUQIDBSIIKXTTI-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.01
Rot. Bonds5

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

N,N-bis(2-hydroxyethyl)prop-2-enamide (PubChem CID 11116327) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)prop-2-enamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)prop-2-enamide
PubChem CID11116327
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC NameN,N-bis(2-hydroxyethyl)prop-2-enamide
SMILESC=CC(=O)N(CCO)CCO
InChIInChI=1S/C7H13NO3/c1-2-7(11)8(3-5-9)4-6-10/h2,9-10H,1,3-6H2
InChIKeyXUQIDBSIIKXTTI-UHFFFAOYSA-N
XLogP-1.01
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.01
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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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)prop-2-enamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)prop-2-enamide (CID 11116327) is N,N-bis(2-hydroxyethyl)prop-2-enamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)prop-2-enamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)prop-2-enamide is C=CC(=O)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)prop-2-enamide?
The InChIKey is XUQIDBSIIKXTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-7(11)8(3-5-9)4-6-10/h2,9-10H,1,3-6H2.
What are the key properties of N,N-bis(2-hydroxyethyl)prop-2-enamide?
N,N-bis(2-hydroxyethyl)prop-2-enamide has a molecular weight of 159.19 g/mol, XLogP of -1.01, 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 is sourced from PubChem (CID 11116327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).