(E)-N-hydroxy-3-(3-methyl-4-propoxyphenyl)prop-2-enamide

C13H17NO3 — CID 6433962

IUPAC(E)-N-hydroxy-3-(3-methyl-4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)NO)cc1C
InChIInChI=1S/C13H17NO3/c1-3-8-17-12-6-4-11(9-10(12)2)5-7-13(15)14-16/h4-7,9,16H,3,8H2,1-2H3,(H,14,15)/b7-5+
InChIKeyPHNSAMVICKDQJR-FNORWQNLSA-N
MW235.28 g/mol
LogP2.30
Rot. Bonds5

About (E)-N-hydroxy-3-(3-methyl-4-propoxyphenyl)prop-2-enamide

(E)-N-hydroxy-3-(3-methyl-4-propoxyphenyl)prop-2-enamide (PubChem CID 6433962) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (E)-N-hydroxy-3-(3-methyl-4-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-(3-methyl-4-propoxyphenyl)prop-2-enamide
PubChem CID6433962
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(E)-N-hydroxy-3-(3-methyl-4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)NO)cc1C
InChIInChI=1S/C13H17NO3/c1-3-8-17-12-6-4-11(9-10(12)2)5-7-13(15)14-16/h4-7,9,16H,3,8H2,1-2H3,(H,14,15)/b7-5+
InChIKeyPHNSAMVICKDQJR-FNORWQNLSA-N
XLogP2.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-3-(4-butoxy-3-chlorophenyl)-N-hydroxyprop-2-enamide
CID 125487478
(E)-3-(3-chloro-4-pentoxyphenyl)-N-hydroxyprop-2-enamide
CID 125487424
(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
CID 6433880
(E)-3-(3-ethoxy-4-propoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 134016624
(Z)-3-(3-amino-4-propoxyphenyl)-N-pentylprop-2-enamide
CID 82152955
(Z)-3-(3-amino-4-propoxyphenyl)-N-butan-2-ylprop-2-enamide
CID 82152945
3-(3-methoxy-4-propoxyphenyl)-N-(3-methylbutan-2-yl)prop-2-enamide
CID 76859005
(E)-N-(5-formyl-2-propoxyphenyl)-3-phenylprop-2-enamide
CID 94763034
N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2-propoxybenzohydrazide
CID 6233838
3-(3-ethoxy-4-propoxyphenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide
CID 85461530
(E)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoic acid
CID 20534154
(E)-3-(3-methoxy-4-propoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 39953593

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-(3-methyl-4-propoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-(3-methyl-4-propoxyphenyl)prop-2-enamide (CID 6433962) is (E)-N-hydroxy-3-(3-methyl-4-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-(3-methyl-4-propoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-(3-methyl-4-propoxyphenyl)prop-2-enamide is CCCOc1ccc(/C=C/C(=O)NO)cc1C.
What is the InChIKey of (E)-N-hydroxy-3-(3-methyl-4-propoxyphenyl)prop-2-enamide?
The InChIKey is PHNSAMVICKDQJR-FNORWQNLSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-8-17-12-6-4-11(9-10(12)2)5-7-13(15)14-16/h4-7,9,16H,3,8H2,1-2H3,(H,14,15)/b7-5+.
What are the key properties of (E)-N-hydroxy-3-(3-methyl-4-propoxyphenyl)prop-2-enamide?
(E)-N-hydroxy-3-(3-methyl-4-propoxyphenyl)prop-2-enamide has a molecular weight of 235.28 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-(3-methyl-4-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 6433962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).