3-(3-cyanophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide

C14H16N2O2 — CID 76939981

IUPAC3-(3-cyanophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide
SMILESCC(O)CN(C)C(=O)C=Cc1cccc(C#N)c1
InChIInChI=1S/C14H16N2O2/c1-11(17)10-16(2)14(18)7-6-12-4-3-5-13(8-12)9-15/h3-8,11,17H,10H2,1-2H3
InChIKeyDMUCYROUCPFKHW-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.41
Rot. Bonds4

About 3-(3-cyanophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide

3-(3-cyanophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide (PubChem CID 76939981) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(3-cyanophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name3-(3-cyanophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide
PubChem CID76939981
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-(3-cyanophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide
SMILESCC(O)CN(C)C(=O)C=Cc1cccc(C#N)c1
InChIInChI=1S/C14H16N2O2/c1-11(17)10-16(2)14(18)7-6-12-4-3-5-13(8-12)9-15/h3-8,11,17H,10H2,1-2H3
InChIKeyDMUCYROUCPFKHW-UHFFFAOYSA-N
XLogP1.41
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-cyanophenyl)prop-2-enoyl-methylamino]propanoic acid
CID 76947167
3-(3-oxobut-1-enyl)benzonitrile
CID 54320698
3-(3-cyanophenyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide
CID 77045805
(E)-3-(3-cyanophenyl)-N-(3-hydroxy-2-methylbutan-2-yl)prop-2-enamide
CID 115884334
(E)-3-(3-cyanophenyl)-N-[(2R)-1-ethylsulfonylpropan-2-yl]prop-2-enamide
CID 96539648
(Z)-3-(3-cyanophenyl)prop-2-enoate
CID 86306265
2-methyl-3-[methyl-[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]propanoic acid
CID 55008257
3-[(Z)-3-methylbut-1-enyl]benzonitrile
CID 13297012
ethyl 2-[[(E)-3-(3-cyanophenyl)prop-2-enoyl]-ethylamino]acetate
CID 61012788
N-(2-hydroxypropyl)-N-methyl-3-pyridin-3-ylprop-2-enamide
CID 76940045
(E)-3-(3-cyanophenyl)-N-cyclobutyl-N-(2-hydroxyethyl)prop-2-enamide
CID 102684445
propyl 3-(3-cyanophenyl)prop-2-enoate
CID 112727938

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide?
The IUPAC name of 3-(3-cyanophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide (CID 76939981) is 3-(3-cyanophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide.
What is the SMILES notation for 3-(3-cyanophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide?
The canonical SMILES for 3-(3-cyanophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide is CC(O)CN(C)C(=O)C=Cc1cccc(C#N)c1.
What is the InChIKey of 3-(3-cyanophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide?
The InChIKey is DMUCYROUCPFKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-11(17)10-16(2)14(18)7-6-12-4-3-5-13(8-12)9-15/h3-8,11,17H,10H2,1-2H3.
What are the key properties of 3-(3-cyanophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide?
3-(3-cyanophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide has a molecular weight of 244.29 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide is sourced from PubChem (CID 76939981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).