3-(2-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-2-yl)prop-2-enamide

C17H25NO3 — CID 61247353

IUPAC3-(2-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-2-yl)prop-2-enamide
SMILESCCOc1ccccc1C=CC(=O)NC(CO)CC(C)C
InChIInChI=1S/C17H25NO3/c1-4-21-16-8-6-5-7-14(16)9-10-17(20)18-15(12-19)11-13(2)3/h5-10,13,15,19H,4,11-12H2,1-3H3,(H,18,20)
InChIKeyIZEBCABPKLLJDN-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.62
Rot. Bonds8

About 3-(2-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-2-yl)prop-2-enamide

3-(2-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-2-yl)prop-2-enamide (PubChem CID 61247353) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-2-yl)prop-2-enamide
PubChem CID61247353
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name3-(2-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-2-yl)prop-2-enamide
SMILESCCOc1ccccc1C=CC(=O)NC(CO)CC(C)C
InChIInChI=1S/C17H25NO3/c1-4-21-16-8-6-5-7-14(16)9-10-17(20)18-15(12-19)11-13(2)3/h5-10,13,15,19H,4,11-12H2,1-3H3,(H,18,20)
InChIKeyIZEBCABPKLLJDN-UHFFFAOYSA-N
XLogP2.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.62
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-(2-ethoxyphenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)prop-2-enamide
CID 103851116
(E)-3-(2-ethoxyphenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)prop-2-enamide
CID 103867183
methyl 2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-3-methylpentanoate
CID 78771685
3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
CID 76872072
2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-3-methoxypropanoic acid
CID 81084653
(E)-3-(2-ethoxyphenyl)-N-(2-ethylbutyl)prop-2-enamide
CID 115612707
(E)-3-(2-fluorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]prop-2-enamide
CID 93040792
propan-2-yl 3-(2-ethoxyphenyl)prop-2-enoate
CID 77493840
(E)-3-(2-ethoxyphenyl)-N-[furan-2-yl(phenyl)methyl]prop-2-enamide
CID 134029408
N-(1-hydroxy-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 61246484
N-(1-hydroxy-4-methylpentan-2-yl)-3-(3-methylphenyl)prop-2-enamide
CID 61246342
(E)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 9214408

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-2-yl)prop-2-enamide?
The IUPAC name of 3-(2-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-2-yl)prop-2-enamide (CID 61247353) is 3-(2-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-2-yl)prop-2-enamide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-2-yl)prop-2-enamide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-2-yl)prop-2-enamide is CCOc1ccccc1C=CC(=O)NC(CO)CC(C)C.
What is the InChIKey of 3-(2-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-2-yl)prop-2-enamide?
The InChIKey is IZEBCABPKLLJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-21-16-8-6-5-7-14(16)9-10-17(20)18-15(12-19)11-13(2)3/h5-10,13,15,19H,4,11-12H2,1-3H3,(H,18,20).
What are the key properties of 3-(2-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-2-yl)prop-2-enamide?
3-(2-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-2-yl)prop-2-enamide has a molecular weight of 291.39 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-2-yl)prop-2-enamide is sourced from PubChem (CID 61247353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).