(2S)-N-(2-tert-butylphenyl)-2-hydroxy-N-prop-2-enylpropanamide

C16H23NO2 — CID 11482398

IUPAC(2S)-N-(2-tert-butylphenyl)-2-hydroxy-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)[C@H](C)O)c1ccccc1C(C)(C)C
InChIInChI=1S/C16H23NO2/c1-6-11-17(15(19)12(2)18)14-10-8-7-9-13(14)16(3,4)5/h6-10,12,18H,1,11H2,2-5H3/t12-/m0/s1
InChIKeyWSDVGZXWZNHIRS-LBPRGKRZSA-N
MW261.37 g/mol
LogP2.88
Rot. Bonds4

About (2S)-N-(2-tert-butylphenyl)-2-hydroxy-N-prop-2-enylpropanamide

(2S)-N-(2-tert-butylphenyl)-2-hydroxy-N-prop-2-enylpropanamide (PubChem CID 11482398) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (2S)-N-(2-tert-butylphenyl)-2-hydroxy-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2-tert-butylphenyl)-2-hydroxy-N-prop-2-enylpropanamide
PubChem CID11482398
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(2S)-N-(2-tert-butylphenyl)-2-hydroxy-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)[C@H](C)O)c1ccccc1C(C)(C)C
InChIInChI=1S/C16H23NO2/c1-6-11-17(15(19)12(2)18)14-10-8-7-9-13(14)16(3,4)5/h6-10,12,18H,1,11H2,2-5H3/t12-/m0/s1
InChIKeyWSDVGZXWZNHIRS-LBPRGKRZSA-N
XLogP2.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(2-tert-butylphenyl)-2-methoxy-N-prop-2-enylpropanamide
CID 11288870
N-(2-tert-butylphenyl)-2-oxo-N-prop-2-enylbutanamide
CID 100944178
N-(2-tert-butylphenyl)-2-chloro-N-(chloromethyl)acetamide
CID 54038118
2-chloro-N-phenyl-N-prop-2-enylpropanamide
CID 14417035
N-(2-aminophenyl)-N-prop-2-enylacetamide
CID 10702854
N,2-dihydroxy-N-prop-2-enylpropanamide
CID 175330180
N-(2-tert-butylphenyl)-N-prop-2-enylcyclohexanesulfonamide
CID 177389248
(2R)-N-(2-tert-butylphenyl)-2-methyl-N-phenylpentanamide
CID 101414320
(2-tert-butylphenyl)-methylcarbamic acid
CID 142882517
(2R)-N-(2-tert-butylphenyl)-N,2,3,3-tetramethylpent-4-enethioamide
CID 101160081
2-bromo-N-(2-tert-butylphenyl)-N-(methoxymethyl)acetamide
CID 67892276
N-(2-tert-butylphenyl)-2-chloro-N-(methoxymethyl)acetamide
CID 20561480

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-tert-butylphenyl)-2-hydroxy-N-prop-2-enylpropanamide?
The IUPAC name of (2S)-N-(2-tert-butylphenyl)-2-hydroxy-N-prop-2-enylpropanamide (CID 11482398) is (2S)-N-(2-tert-butylphenyl)-2-hydroxy-N-prop-2-enylpropanamide.
What is the SMILES notation for (2S)-N-(2-tert-butylphenyl)-2-hydroxy-N-prop-2-enylpropanamide?
The canonical SMILES for (2S)-N-(2-tert-butylphenyl)-2-hydroxy-N-prop-2-enylpropanamide is C=CCN(C(=O)[C@H](C)O)c1ccccc1C(C)(C)C.
What is the InChIKey of (2S)-N-(2-tert-butylphenyl)-2-hydroxy-N-prop-2-enylpropanamide?
The InChIKey is WSDVGZXWZNHIRS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23NO2/c1-6-11-17(15(19)12(2)18)14-10-8-7-9-13(14)16(3,4)5/h6-10,12,18H,1,11H2,2-5H3/t12-/m0/s1.
What are the key properties of (2S)-N-(2-tert-butylphenyl)-2-hydroxy-N-prop-2-enylpropanamide?
(2S)-N-(2-tert-butylphenyl)-2-hydroxy-N-prop-2-enylpropanamide has a molecular weight of 261.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-tert-butylphenyl)-2-hydroxy-N-prop-2-enylpropanamide is sourced from PubChem (CID 11482398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).