3-(4-cyanophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide

C14H16N2O3 — CID 61233426

IUPAC3-(4-cyanophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide
SMILESN#Cc1ccc(C=CC(=O)N(CCO)CCO)cc1
InChIInChI=1S/C14H16N2O3/c15-11-13-3-1-12(2-4-13)5-6-14(19)16(7-9-17)8-10-18/h1-6,17-18H,7-10H2
InChIKeyYKXKPJDCTWPLFY-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.38
Rot. Bonds6

About 3-(4-cyanophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide

3-(4-cyanophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide (PubChem CID 61233426) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide
PubChem CID61233426
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-(4-cyanophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide
SMILESN#Cc1ccc(C=CC(=O)N(CCO)CCO)cc1
InChIInChI=1S/C14H16N2O3/c15-11-13-3-1-12(2-4-13)5-6-14(19)16(7-9-17)8-10-18/h1-6,17-18H,7-10H2
InChIKeyYKXKPJDCTWPLFY-UHFFFAOYSA-N
XLogP0.38
TPSA84.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-cyanophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylprop-2-enamide
CID 43573291
3-(4-bromophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide
CID 61233441
3-[4-(dimethylamino)phenyl]-N,N-bis(2-hydroxyethyl)prop-2-enamide
CID 61234524
4-[(E)-3-oxobut-1-enyl]benzonitrile
CID 11126721
(E)-3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 8834576
N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide
CID 176654258
2-[3-(4-cyanophenyl)prop-2-enoyl-methylamino]-2-methylpropanoic acid
CID 76950005
(E)-3-(4-bromophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 107483019
(E)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(4-nitrophenyl)prop-2-enamide
CID 107483298
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]-3-oxopenta-1,4-dienyl]benzonitrile
CID 20513546
4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 10857270
(E)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-(4-cyanophenyl)-N-ethylprop-2-enamide
CID 9116101

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide?
The IUPAC name of 3-(4-cyanophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide (CID 61233426) is 3-(4-cyanophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide?
The canonical SMILES for 3-(4-cyanophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide is N#Cc1ccc(C=CC(=O)N(CCO)CCO)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide?
The InChIKey is YKXKPJDCTWPLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c15-11-13-3-1-12(2-4-13)5-6-14(19)16(7-9-17)8-10-18/h1-6,17-18H,7-10H2.
What are the key properties of 3-(4-cyanophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide?
3-(4-cyanophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide has a molecular weight of 260.29 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide is sourced from PubChem (CID 61233426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).