(E)-3-(4-cyanophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylprop-2-enamide

C15H18N2O2 — CID 43573291

IUPAC(E)-3-(4-cyanophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylprop-2-enamide
SMILESCC(C)N(CCO)C(=O)/C=C/c1ccc(C#N)cc1
InChIInChI=1S/C15H18N2O2/c1-12(2)17(9-10-18)15(19)8-7-13-3-5-14(11-16)6-4-13/h3-8,12,18H,9-10H2,1-2H3/b8-7+
InChIKeyQMCWBWZZNJDFEI-BQYQJAHWSA-N
MW258.32 g/mol
LogP1.80
Rot. Bonds5

About (E)-3-(4-cyanophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylprop-2-enamide

(E)-3-(4-cyanophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylprop-2-enamide (PubChem CID 43573291) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (E)-3-(4-cyanophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-cyanophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylprop-2-enamide
PubChem CID43573291
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(E)-3-(4-cyanophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylprop-2-enamide
SMILESCC(C)N(CCO)C(=O)/C=C/c1ccc(C#N)cc1
InChIInChI=1S/C15H18N2O2/c1-12(2)17(9-10-18)15(19)8-7-13-3-5-14(11-16)6-4-13/h3-8,12,18H,9-10H2,1-2H3/b8-7+
InChIKeyQMCWBWZZNJDFEI-BQYQJAHWSA-N
XLogP1.80
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.80
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

3-(4-cyanophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide
CID 61233426
4-[(E)-3-oxobut-1-enyl]benzonitrile
CID 11126721
propan-2-yl 3-(4-cyanophenyl)prop-2-enoate
CID 112722924
2-[3-(4-cyanophenyl)prop-2-enoyl-methylamino]-2-methylpropanoic acid
CID 76950005
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]-3-oxopenta-1,4-dienyl]benzonitrile
CID 20513546
(E)-N-[[2-[(4-cyanophenyl)sulfonyl-(2-hydroxyethyl)amino]phenyl]methyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 155524169
(E)-3-(4-cyanophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)prop-2-enamide
CID 106352996
2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]-propan-2-ylamino]acetic acid
CID 115343538
(E)-3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylprop-2-enamide
CID 61039442
3-(3-cyanophenyl)-N-(2-hydroxypropyl)-N-methylprop-2-enamide
CID 76939981
3-(4-cyanophenyl)-N-(1-hydroxy-2-methylbutan-2-yl)prop-2-enamide
CID 77046773
(E)-3-(4-cyanophenyl)-N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide
CID 94642688

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-cyanophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylprop-2-enamide?
The IUPAC name of (E)-3-(4-cyanophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylprop-2-enamide (CID 43573291) is (E)-3-(4-cyanophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-cyanophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (E)-3-(4-cyanophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylprop-2-enamide is CC(C)N(CCO)C(=O)/C=C/c1ccc(C#N)cc1.
What is the InChIKey of (E)-3-(4-cyanophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylprop-2-enamide?
The InChIKey is QMCWBWZZNJDFEI-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-12(2)17(9-10-18)15(19)8-7-13-3-5-14(11-16)6-4-13/h3-8,12,18H,9-10H2,1-2H3/b8-7+.
What are the key properties of (E)-3-(4-cyanophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylprop-2-enamide?
(E)-3-(4-cyanophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylprop-2-enamide has a molecular weight of 258.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-cyanophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 43573291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).