(E)-N-(4-hydroxy-1-methoxybutan-2-yl)-3-(3-methoxyphenyl)prop-2-enamide

C15H21NO4 — CID 103850896

IUPAC(E)-N-(4-hydroxy-1-methoxybutan-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOCC(CCO)NC(=O)/C=C/c1cccc(OC)c1
InChIInChI=1S/C15H21NO4/c1-19-11-13(8-9-17)16-15(18)7-6-12-4-3-5-14(10-12)20-2/h3-7,10,13,17H,8-9,11H2,1-2H3,(H,16,18)/b7-6+
InChIKeySYRYOGLDWPKRKI-VOTSOKGWSA-N
MW279.34 g/mol
LogP1.22
Rot. Bonds8

About (E)-N-(4-hydroxy-1-methoxybutan-2-yl)-3-(3-methoxyphenyl)prop-2-enamide

(E)-N-(4-hydroxy-1-methoxybutan-2-yl)-3-(3-methoxyphenyl)prop-2-enamide (PubChem CID 103850896) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (E)-N-(4-hydroxy-1-methoxybutan-2-yl)-3-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-hydroxy-1-methoxybutan-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
PubChem CID103850896
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(E)-N-(4-hydroxy-1-methoxybutan-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOCC(CCO)NC(=O)/C=C/c1cccc(OC)c1
InChIInChI=1S/C15H21NO4/c1-19-11-13(8-9-17)16-15(18)7-6-12-4-3-5-14(10-12)20-2/h3-7,10,13,17H,8-9,11H2,1-2H3,(H,16,18)/b7-6+
InChIKeySYRYOGLDWPKRKI-VOTSOKGWSA-N
XLogP1.22
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(1-aminobutan-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 82354320
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(3-methoxyphenyl)prop-2-enamide
CID 79252669
(E)-3-(4-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)prop-2-enamide
CID 106161089
(E)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 103867123
2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-4-methylpentanoic acid
CID 43091753
N-(3-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 77055664
N-(2-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 77056258
(E)-3-(3-methoxyphenyl)-N-[(1R)-1-(4-phenylphenyl)ethyl]prop-2-enamide
CID 7948884
(E)-3-(3,5-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 18169436
(E)-3-(3-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide
CID 82723936
(E)-3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 7772448
N-(1,3-dihydroxypropan-2-yl)-3-(3-methylphenyl)prop-2-enamide
CID 77065093

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-hydroxy-1-methoxybutan-2-yl)-3-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-hydroxy-1-methoxybutan-2-yl)-3-(3-methoxyphenyl)prop-2-enamide (CID 103850896) is (E)-N-(4-hydroxy-1-methoxybutan-2-yl)-3-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-hydroxy-1-methoxybutan-2-yl)-3-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-hydroxy-1-methoxybutan-2-yl)-3-(3-methoxyphenyl)prop-2-enamide is COCC(CCO)NC(=O)/C=C/c1cccc(OC)c1.
What is the InChIKey of (E)-N-(4-hydroxy-1-methoxybutan-2-yl)-3-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is SYRYOGLDWPKRKI-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H21NO4/c1-19-11-13(8-9-17)16-15(18)7-6-12-4-3-5-14(10-12)20-2/h3-7,10,13,17H,8-9,11H2,1-2H3,(H,16,18)/b7-6+.
What are the key properties of (E)-N-(4-hydroxy-1-methoxybutan-2-yl)-3-(3-methoxyphenyl)prop-2-enamide?
(E)-N-(4-hydroxy-1-methoxybutan-2-yl)-3-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 279.34 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-hydroxy-1-methoxybutan-2-yl)-3-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 103850896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).