N-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide

C12H15NO2 — CID 166405126

IUPACN-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCC(O)c1ccccc1C
InChIInChI=1S/C12H15NO2/c1-3-12(15)13-8-11(14)10-7-5-4-6-9(10)2/h3-7,11,14H,1,8H2,2H3,(H,13,15)
InChIKeyIRQWDMOBECEIMU-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.33
Rot. Bonds4

About N-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide

N-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide (PubChem CID 166405126) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide
PubChem CID166405126
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCC(O)c1ccccc1C
InChIInChI=1S/C12H15NO2/c1-3-12(15)13-8-11(14)10-7-5-4-6-9(10)2/h3-7,11,14H,1,8H2,2H3,(H,13,15)
InChIKeyIRQWDMOBECEIMU-UHFFFAOYSA-N
XLogP1.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylphenyl)-2-(prop-2-enoylamino)ethanesulfonic acid
CID 22342320
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide
CID 119784439
1,1-diethyl-3-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 97239385
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide
CID 111119754
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 111119709
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 111119847
benzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate
CID 124679296
2-(methylamino)-1-(2-methylphenyl)ethanol
CID 14888492
N-[(1R)-1-(2-methylphenyl)ethyl]prop-2-enamide
CID 81374722
(2R)-N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-2-methyl-3-methylsulfanylpropanamide
CID 96530841
N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylprop-2-ynamide
CID 97072671

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide?
The IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide (CID 166405126) is N-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide is C=CC(=O)NCC(O)c1ccccc1C.
What is the InChIKey of N-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide?
The InChIKey is IRQWDMOBECEIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-12(15)13-8-11(14)10-7-5-4-6-9(10)2/h3-7,11,14H,1,8H2,2H3,(H,13,15).
What are the key properties of N-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide?
N-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide has a molecular weight of 205.26 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 166405126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).