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

C14H17NO4 — CID 57194236

IUPACN,N-bis(2-hydroxyethyl)-2-oxo-4-phenylbut-3-enamide
SMILESO=C(C=Cc1ccccc1)C(=O)N(CCO)CCO
InChIInChI=1S/C14H17NO4/c16-10-8-15(9-11-17)14(19)13(18)7-6-12-4-2-1-3-5-12/h1-7,16-17H,8-11H2
InChIKeyQGRFLJSQEAYEAM-UHFFFAOYSA-N
MW263.29 g/mol
LogP0.08
Rot. Bonds7

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

N,N-bis(2-hydroxyethyl)-2-oxo-4-phenylbut-3-enamide (PubChem CID 57194236) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-2-oxo-4-phenylbut-3-enamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-2-oxo-4-phenylbut-3-enamide
PubChem CID57194236
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC NameN,N-bis(2-hydroxyethyl)-2-oxo-4-phenylbut-3-enamide
SMILESO=C(C=Cc1ccccc1)C(=O)N(CCO)CCO
InChIInChI=1S/C14H17NO4/c16-10-8-15(9-11-17)14(19)13(18)7-6-12-4-2-1-3-5-12/h1-7,16-17H,8-11H2
InChIKeyQGRFLJSQEAYEAM-UHFFFAOYSA-N
XLogP0.08
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-oxo-4-phenylbut-3-enamide
CID 57095227
N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide
CID 176654258
(E)-2-oxo-4-phenyl-N,N-di(propan-2-yl)but-3-enamide
CID 11470935
(E)-N-ethenyl-2-oxo-4-phenylbut-3-enamide
CID 70158495
potassium 2-oxo-4-phenylbut-3-enoate
CID 67784014
(E)-2-oxo-4-phenylbut-3-enoate
CID 6994167
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
1-(2-hydroxyethyl)-1-(3-phenylprop-2-enyl)-3-(2,2,2-trifluoroethyl)urea
CID 171134574
ethanol;3-phenylprop-2-enoic acid
CID 158830805
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-2-oxo-4-phenylbut-3-enamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-2-oxo-4-phenylbut-3-enamide (CID 57194236) is N,N-bis(2-hydroxyethyl)-2-oxo-4-phenylbut-3-enamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-2-oxo-4-phenylbut-3-enamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-2-oxo-4-phenylbut-3-enamide is O=C(C=Cc1ccccc1)C(=O)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-2-oxo-4-phenylbut-3-enamide?
The InChIKey is QGRFLJSQEAYEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-10-8-15(9-11-17)14(19)13(18)7-6-12-4-2-1-3-5-12/h1-7,16-17H,8-11H2.
What are the key properties of N,N-bis(2-hydroxyethyl)-2-oxo-4-phenylbut-3-enamide?
N,N-bis(2-hydroxyethyl)-2-oxo-4-phenylbut-3-enamide has a molecular weight of 263.29 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-2-oxo-4-phenylbut-3-enamide is sourced from PubChem (CID 57194236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).