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

C14H19NO3 — CID 77056258

IUPACN-(2-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(C=CC(=O)NCC(C)(C)O)c1
InChIInChI=1S/C14H19NO3/c1-14(2,17)10-15-13(16)8-7-11-5-4-6-12(9-11)18-3/h4-9,17H,10H2,1-3H3,(H,15,16)
InChIKeyCWSOZZCHCVVRHB-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.60
Rot. Bonds5

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

N-(2-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide (PubChem CID 77056258) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
PubChem CID77056258
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-(2-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(C=CC(=O)NCC(C)(C)O)c1
InChIInChI=1S/C14H19NO3/c1-14(2,17)10-15-13(16)8-7-11-5-4-6-12(9-11)18-3/h4-9,17H,10H2,1-3H3,(H,15,16)
InChIKeyCWSOZZCHCVVRHB-UHFFFAOYSA-N
XLogP1.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
tert-butyl N-[2-[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]propylamino]-2-oxoethyl]carbamate
CID 108918842
4-[[3-(3-methoxyphenyl)prop-2-enoylamino]methyl]benzoic acid
CID 67079345
N-(3-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 77055664
(E)-3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 27396984
N-(1-hydroxy-2-methylbutan-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 77046869
(E)-1-(3-methoxyphenyl)-4,4-dimethylpent-1-en-3-one
CID 5388509
(E)-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 11267400
(E)-N-(2-azidoethyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 95936690
(E)-3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 11324381
(E)-3-(3-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide
CID 7761266

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide (CID 77056258) is N-(2-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide is COc1cccc(C=CC(=O)NCC(C)(C)O)c1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is CWSOZZCHCVVRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(2,17)10-15-13(16)8-7-11-5-4-6-12(9-11)18-3/h4-9,17H,10H2,1-3H3,(H,15,16).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide?
N-(2-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 249.31 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 77056258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).