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

C7H13NO3 — CID 22665003

IUPACN,N-bis(1-hydroxyethyl)prop-2-enamide
SMILESC=CC(=O)N(C(C)O)C(C)O
InChIInChI=1S/C7H13NO3/c1-4-7(11)8(5(2)9)6(3)10/h4-6,9-10H,1H2,2-3H3
InChIKeyCZJAUOMGCFVCSB-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.32
Rot. Bonds3

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

N,N-bis(1-hydroxyethyl)prop-2-enamide (PubChem CID 22665003) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is N,N-bis(1-hydroxyethyl)prop-2-enamide.

Molecular Properties

Compound NameN,N-bis(1-hydroxyethyl)prop-2-enamide
PubChem CID22665003
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC NameN,N-bis(1-hydroxyethyl)prop-2-enamide
SMILESC=CC(=O)N(C(C)O)C(C)O
InChIInChI=1S/C7H13NO3/c1-4-7(11)8(5(2)9)6(3)10/h4-6,9-10H,1H2,2-3H3
InChIKeyCZJAUOMGCFVCSB-UHFFFAOYSA-N
XLogP-0.32
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.32
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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Frequently Asked Questions

What is the IUPAC name of N,N-bis(1-hydroxyethyl)prop-2-enamide?
The IUPAC name of N,N-bis(1-hydroxyethyl)prop-2-enamide (CID 22665003) is N,N-bis(1-hydroxyethyl)prop-2-enamide.
What is the SMILES notation for N,N-bis(1-hydroxyethyl)prop-2-enamide?
The canonical SMILES for N,N-bis(1-hydroxyethyl)prop-2-enamide is C=CC(=O)N(C(C)O)C(C)O.
What is the InChIKey of N,N-bis(1-hydroxyethyl)prop-2-enamide?
The InChIKey is CZJAUOMGCFVCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4-7(11)8(5(2)9)6(3)10/h4-6,9-10H,1H2,2-3H3.
What are the key properties of N,N-bis(1-hydroxyethyl)prop-2-enamide?
N,N-bis(1-hydroxyethyl)prop-2-enamide has a molecular weight of 159.18 g/mol, XLogP of -0.32, 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)prop-2-enamide is sourced from PubChem (CID 22665003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).