(E)-N-hydroxy-3-[2-oxo-1-[3-(4-propan-2-ylphenyl)propyl]-3-pyridinyl]prop-2-enamide

C20H24N2O3 — CID 89001868

IUPAC(E)-N-hydroxy-3-[2-oxo-1-[3-(4-propan-2-ylphenyl)propyl]-3-pyridinyl]prop-2-enamide
SMILESCC(C)c1ccc(CCCn2cccc(/C=C/C(=O)NO)c2=O)cc1
InChIInChI=1S/C20H24N2O3/c1-15(2)17-9-7-16(8-10-17)5-3-13-22-14-4-6-18(20(22)24)11-12-19(23)21-25/h4,6-12,14-15,25H,3,5,13H2,1-2H3,(H,21,23)/b12-11+
InChIKeyBJOBOJSEHROCGT-VAWYXSNFSA-N
MW340.42 g/mol
LogP3.12
Rot. Bonds7

About (E)-N-hydroxy-3-[2-oxo-1-[3-(4-propan-2-ylphenyl)propyl]-3-pyridinyl]prop-2-enamide

(E)-N-hydroxy-3-[2-oxo-1-[3-(4-propan-2-ylphenyl)propyl]-3-pyridinyl]prop-2-enamide (PubChem CID 89001868) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[2-oxo-1-[3-(4-propan-2-ylphenyl)propyl]-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[2-oxo-1-[3-(4-propan-2-ylphenyl)propyl]-3-pyridinyl]prop-2-enamide
PubChem CID89001868
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(E)-N-hydroxy-3-[2-oxo-1-[3-(4-propan-2-ylphenyl)propyl]-3-pyridinyl]prop-2-enamide
SMILESCC(C)c1ccc(CCCn2cccc(/C=C/C(=O)NO)c2=O)cc1
InChIInChI=1S/C20H24N2O3/c1-15(2)17-9-7-16(8-10-17)5-3-13-22-14-4-6-18(20(22)24)11-12-19(23)21-25/h4,6-12,14-15,25H,3,5,13H2,1-2H3,(H,21,23)/b12-11+
InChIKeyBJOBOJSEHROCGT-VAWYXSNFSA-N
XLogP3.12
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-hydroxy-3-[2-oxo-1-(3-pyridin-3-ylpropyl)-3-pyridinyl]prop-2-enamide
CID 89001938
(E)-3-[1-[2-(3,4-dichlorophenyl)ethyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 89001819
(E)-N-hydroxy-3-[1-[(E)-3-naphthalen-1-ylprop-2-enyl]-2-oxo-3-pyridinyl]prop-2-enamide
CID 89001871
(E)-3-[1-[(E)-3-(3-bromophenyl)prop-2-enyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 89001826
N-[[1-[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-phenylbutyl]carbamoyl]benzamide
CID 173151297
4-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-propan-2-ylbutanamide
CID 118362813
3-bromo-1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one
CID 114761080
N',N'-dimethyl-4-(4-propan-2-ylphenyl)butanehydrazide
CID 116847673
(E)-N-(2-bromo-4-butylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 53267822
(E)-3-(3-bromophenyl)-N-[2-(4-propan-2-ylphenyl)ethyl]prop-2-enamide
CID 7974371
(Z)-3-(4-propan-2-ylphenyl)-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide
CID 92971155
3-amino-1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one
CID 55035658

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[2-oxo-1-[3-(4-propan-2-ylphenyl)propyl]-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[2-oxo-1-[3-(4-propan-2-ylphenyl)propyl]-3-pyridinyl]prop-2-enamide (CID 89001868) is (E)-N-hydroxy-3-[2-oxo-1-[3-(4-propan-2-ylphenyl)propyl]-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[2-oxo-1-[3-(4-propan-2-ylphenyl)propyl]-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[2-oxo-1-[3-(4-propan-2-ylphenyl)propyl]-3-pyridinyl]prop-2-enamide is CC(C)c1ccc(CCCn2cccc(/C=C/C(=O)NO)c2=O)cc1.
What is the InChIKey of (E)-N-hydroxy-3-[2-oxo-1-[3-(4-propan-2-ylphenyl)propyl]-3-pyridinyl]prop-2-enamide?
The InChIKey is BJOBOJSEHROCGT-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(2)17-9-7-16(8-10-17)5-3-13-22-14-4-6-18(20(22)24)11-12-19(23)21-25/h4,6-12,14-15,25H,3,5,13H2,1-2H3,(H,21,23)/b12-11+.
What are the key properties of (E)-N-hydroxy-3-[2-oxo-1-[3-(4-propan-2-ylphenyl)propyl]-3-pyridinyl]prop-2-enamide?
(E)-N-hydroxy-3-[2-oxo-1-[3-(4-propan-2-ylphenyl)propyl]-3-pyridinyl]prop-2-enamide has a molecular weight of 340.42 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[2-oxo-1-[3-(4-propan-2-ylphenyl)propyl]-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 89001868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).