N-(3-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide

C14H19NO3 — CID 77055664

IUPACN-(3-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(C=CC(=O)NCC(C)CO)c1
InChIInChI=1S/C14H19NO3/c1-11(10-16)9-15-14(17)7-6-12-4-3-5-13(8-12)18-2/h3-8,11,16H,9-10H2,1-2H3,(H,15,17)
InChIKeyQWGLLTOTAWNJES-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.45
Rot. Bonds6

About N-(3-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide

N-(3-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide (PubChem CID 77055664) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
PubChem CID77055664
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-(3-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(C=CC(=O)NCC(C)CO)c1
InChIInChI=1S/C14H19NO3/c1-11(10-16)9-15-14(17)7-6-12-4-3-5-13(8-12)18-2/h3-8,11,16H,9-10H2,1-2H3,(H,15,17)
InChIKeyQWGLLTOTAWNJES-UHFFFAOYSA-N
XLogP1.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.45
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)-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 11267400
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(3-methoxyphenyl)prop-2-enamide
CID 79252669
3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
CID 77055695
N-(2-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 77056258
(E)-3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 7772448
(Z)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 98439360
(E)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 103867123
(E)-3-(3-aminophenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide
CID 115344482
(E)-3-(4-methoxyphenyl)-N-(2-methylbutyl)prop-2-enamide
CID 53243304
3-(3,5-dichlorophenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
CID 77055769
(E)-N-(4-hydroxy-1-methoxybutan-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 103850896
(E)-N-(2-azidoethyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 95936690

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide (CID 77055664) is N-(3-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide is COc1cccc(C=CC(=O)NCC(C)CO)c1.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is QWGLLTOTAWNJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11(10-16)9-15-14(17)7-6-12-4-3-5-13(8-12)18-2/h3-8,11,16H,9-10H2,1-2H3,(H,15,17).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide?
N-(3-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 249.31 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 77055664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).