3-(4-cyanophenyl)-N-[1-(3-hydroxyphenyl)propan-2-yl]prop-2-enamide

C19H18N2O2 — CID 175311308

IUPAC3-(4-cyanophenyl)-N-[1-(3-hydroxyphenyl)propan-2-yl]prop-2-enamide
SMILESCC(Cc1cccc(O)c1)NC(=O)C=Cc1ccc(C#N)cc1
InChIInChI=1S/C19H18N2O2/c1-14(11-17-3-2-4-18(22)12-17)21-19(23)10-9-15-5-7-16(13-20)8-6-15/h2-10,12,14,22H,11H2,1H3,(H,21,23)
InChIKeyRKYZOFIXPJZJSO-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.02
Rot. Bonds5

About 3-(4-cyanophenyl)-N-[1-(3-hydroxyphenyl)propan-2-yl]prop-2-enamide

3-(4-cyanophenyl)-N-[1-(3-hydroxyphenyl)propan-2-yl]prop-2-enamide (PubChem CID 175311308) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-[1-(3-hydroxyphenyl)propan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-[1-(3-hydroxyphenyl)propan-2-yl]prop-2-enamide
PubChem CID175311308
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name3-(4-cyanophenyl)-N-[1-(3-hydroxyphenyl)propan-2-yl]prop-2-enamide
SMILESCC(Cc1cccc(O)c1)NC(=O)C=Cc1ccc(C#N)cc1
InChIInChI=1S/C19H18N2O2/c1-14(11-17-3-2-4-18(22)12-17)21-19(23)10-9-15-5-7-16(13-20)8-6-15/h2-10,12,14,22H,11H2,1H3,(H,21,23)
InChIKeyRKYZOFIXPJZJSO-UHFFFAOYSA-N
XLogP3.02
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.02
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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Related Compounds

(E)-3-(4-aminophenyl)-N-(1-phenylpropan-2-yl)prop-2-enamide
CID 115344062
(E)-3-(4-chlorophenyl)-N-[(2S)-1-phenylpropan-2-yl]prop-2-enamide
CID 882618
(E)-3-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide
CID 86941786
(E)-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]prop-2-enamide
CID 6445083
(E)-3-(4-methoxyphenyl)-N-[(2R)-1-phenylpropan-2-yl]prop-2-enamide
CID 757128
(E)-3-(3-cyanophenyl)-N-[(2R)-1-ethylsulfonylpropan-2-yl]prop-2-enamide
CID 96539648
(E)-N-[1-(3-methoxyphenyl)propan-2-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 86941732
N-butan-2-yl-3-(4-hydroxyphenyl)prop-2-enamide
CID 73010667
(E)-3-(4-cyanophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)prop-2-enamide
CID 106352996
3-(3-cyanophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)prop-2-enamide
CID 61245487
(E)-3-(3-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide
CID 86941753
(E)-3-(3-cyanophenyl)-N-[(2S)-1-hydroxybutan-2-yl]prop-2-enamide
CID 104981033

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-[1-(3-hydroxyphenyl)propan-2-yl]prop-2-enamide?
The IUPAC name of 3-(4-cyanophenyl)-N-[1-(3-hydroxyphenyl)propan-2-yl]prop-2-enamide (CID 175311308) is 3-(4-cyanophenyl)-N-[1-(3-hydroxyphenyl)propan-2-yl]prop-2-enamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-[1-(3-hydroxyphenyl)propan-2-yl]prop-2-enamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-[1-(3-hydroxyphenyl)propan-2-yl]prop-2-enamide is CC(Cc1cccc(O)c1)NC(=O)C=Cc1ccc(C#N)cc1.
What is the InChIKey of 3-(4-cyanophenyl)-N-[1-(3-hydroxyphenyl)propan-2-yl]prop-2-enamide?
The InChIKey is RKYZOFIXPJZJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-14(11-17-3-2-4-18(22)12-17)21-19(23)10-9-15-5-7-16(13-20)8-6-15/h2-10,12,14,22H,11H2,1H3,(H,21,23).
What are the key properties of 3-(4-cyanophenyl)-N-[1-(3-hydroxyphenyl)propan-2-yl]prop-2-enamide?
3-(4-cyanophenyl)-N-[1-(3-hydroxyphenyl)propan-2-yl]prop-2-enamide has a molecular weight of 306.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-[1-(3-hydroxyphenyl)propan-2-yl]prop-2-enamide is sourced from PubChem (CID 175311308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).