(E)-N,N-bis(2-hydroxyethyl)-3-phenylprop-2-enamide

C13H17NO3 — CID 5273477

IUPAC(E)-N,N-bis(2-hydroxyethyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N(CCO)CCO
InChIInChI=1S/C13H17NO3/c15-10-8-14(9-11-16)13(17)7-6-12-4-2-1-3-5-12/h1-7,15-16H,8-11H2/b7-6+
InChIKeySELFEGODBFAHGT-VOTSOKGWSA-N
MW235.28 g/mol
LogP0.51
Rot. Bonds6

About (E)-N,N-bis(2-hydroxyethyl)-3-phenylprop-2-enamide

(E)-N,N-bis(2-hydroxyethyl)-3-phenylprop-2-enamide (PubChem CID 5273477) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (E)-N,N-bis(2-hydroxyethyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-bis(2-hydroxyethyl)-3-phenylprop-2-enamide
PubChem CID5273477
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(E)-N,N-bis(2-hydroxyethyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N(CCO)CCO
InChIInChI=1S/C13H17NO3/c15-10-8-14(9-11-16)13(17)7-6-12-4-2-1-3-5-12/h1-7,15-16H,8-11H2/b7-6+
InChIKeySELFEGODBFAHGT-VOTSOKGWSA-N
XLogP0.51
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.51
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 (E)-N,N-bis(2-hydroxyethyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N,N-bis(2-hydroxyethyl)-3-phenylprop-2-enamide (CID 5273477) is (E)-N,N-bis(2-hydroxyethyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N,N-bis(2-hydroxyethyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N,N-bis(2-hydroxyethyl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)N(CCO)CCO.
What is the InChIKey of (E)-N,N-bis(2-hydroxyethyl)-3-phenylprop-2-enamide?
The InChIKey is SELFEGODBFAHGT-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H17NO3/c15-10-8-14(9-11-16)13(17)7-6-12-4-2-1-3-5-12/h1-7,15-16H,8-11H2/b7-6+.
What are the key properties of (E)-N,N-bis(2-hydroxyethyl)-3-phenylprop-2-enamide?
(E)-N,N-bis(2-hydroxyethyl)-3-phenylprop-2-enamide has a molecular weight of 235.28 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-bis(2-hydroxyethyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 5273477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).