(E)-N,N-bis(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide

C15H21NO3 — CID 6442279

IUPAC(E)-N,N-bis(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide
SMILESC/C(=C\c1ccccc1)CC(=O)N(CCO)CCO
InChIInChI=1S/C15H21NO3/c1-13(11-14-5-3-2-4-6-14)12-15(19)16(7-9-17)8-10-18/h2-6,11,17-18H,7-10,12H2,1H3/b13-11+
InChIKeyMNZGTGCNSJEMPU-ACCUITESSA-N
MW263.34 g/mol
LogP1.29
Rot. Bonds7

About (E)-N,N-bis(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide

(E)-N,N-bis(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide (PubChem CID 6442279) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (E)-N,N-bis(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide.

Molecular Properties

Compound Name(E)-N,N-bis(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide
PubChem CID6442279
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(E)-N,N-bis(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide
SMILESC/C(=C\c1ccccc1)CC(=O)N(CCO)CCO
InChIInChI=1S/C15H21NO3/c1-13(11-14-5-3-2-4-6-14)12-15(19)16(7-9-17)8-10-18/h2-6,11,17-18H,7-10,12H2,1H3/b13-11+
InChIKeyMNZGTGCNSJEMPU-ACCUITESSA-N
XLogP1.29
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-bis(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide?
The IUPAC name of (E)-N,N-bis(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide (CID 6442279) is (E)-N,N-bis(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide.
What is the SMILES notation for (E)-N,N-bis(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide?
The canonical SMILES for (E)-N,N-bis(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide is C/C(=C\c1ccccc1)CC(=O)N(CCO)CCO.
What is the InChIKey of (E)-N,N-bis(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide?
The InChIKey is MNZGTGCNSJEMPU-ACCUITESSA-N. The full InChI is InChI=1S/C15H21NO3/c1-13(11-14-5-3-2-4-6-14)12-15(19)16(7-9-17)8-10-18/h2-6,11,17-18H,7-10,12H2,1H3/b13-11+.
What are the key properties of (E)-N,N-bis(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide?
(E)-N,N-bis(2-hydroxyethyl)-3-methyl-4-phenylbut-3-enamide has a molecular weight of 263.34 g/mol, XLogP of 1.29, 7 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-methyl-4-phenylbut-3-enamide is sourced from PubChem (CID 6442279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).