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

C17H25NO2 — CID 11288870

IUPAC(2S)-N-(2-tert-butylphenyl)-2-methoxy-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)[C@H](C)OC)c1ccccc1C(C)(C)C
InChIInChI=1S/C17H25NO2/c1-7-12-18(16(19)13(2)20-6)15-11-9-8-10-14(15)17(3,4)5/h7-11,13H,1,12H2,2-6H3/t13-/m0/s1
InChIKeyBZJGMXZVMCJROX-ZDUSSCGKSA-N
MW275.39 g/mol
LogP3.54
Rot. Bonds5

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

(2S)-N-(2-tert-butylphenyl)-2-methoxy-N-prop-2-enylpropanamide (PubChem CID 11288870) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (2S)-N-(2-tert-butylphenyl)-2-methoxy-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2-tert-butylphenyl)-2-methoxy-N-prop-2-enylpropanamide
PubChem CID11288870
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(2S)-N-(2-tert-butylphenyl)-2-methoxy-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)[C@H](C)OC)c1ccccc1C(C)(C)C
InChIInChI=1S/C17H25NO2/c1-7-12-18(16(19)13(2)20-6)15-11-9-8-10-14(15)17(3,4)5/h7-11,13H,1,12H2,2-6H3/t13-/m0/s1
InChIKeyBZJGMXZVMCJROX-ZDUSSCGKSA-N
XLogP3.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.54
H-Bond Donors ≤ 50
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-hydroxy-N-prop-2-enylpropanamide
CID 11482398
N-(2-tert-butylphenyl)-2-oxo-N-prop-2-enylbutanamide
CID 100944178
2-bromo-N-(2-tert-butylphenyl)-N-(methoxymethyl)acetamide
CID 67892276
N-(2-tert-butylphenyl)-2-chloro-N-(methoxymethyl)acetamide
CID 20561480
2-(3-fluorophenoxy)-N-phenyl-N-prop-2-enylpropanamide
CID 78852544
N-(2-tert-butylphenyl)-2-chloro-N-(chloromethyl)acetamide
CID 54038118
methyl 3-(2-tert-butyl-N-methylanilino)propanoate
CID 117029464
3-[N-(2-methoxypropanoyl)anilino]propanoic acid
CID 113374728
2-chloro-N-phenyl-N-prop-2-enylpropanamide
CID 14417035
2-(2-tert-butyl-N-methylsulfonylanilino)-N-prop-2-enylacetamide
CID 113154543
N-benzyl-2-methoxy-N-methylpropanamide
CID 112685507
methyl 2-[methyl(prop-2-enyl)amino]benzoate
CID 60695038

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-tert-butylphenyl)-2-methoxy-N-prop-2-enylpropanamide?
The IUPAC name of (2S)-N-(2-tert-butylphenyl)-2-methoxy-N-prop-2-enylpropanamide (CID 11288870) is (2S)-N-(2-tert-butylphenyl)-2-methoxy-N-prop-2-enylpropanamide.
What is the SMILES notation for (2S)-N-(2-tert-butylphenyl)-2-methoxy-N-prop-2-enylpropanamide?
The canonical SMILES for (2S)-N-(2-tert-butylphenyl)-2-methoxy-N-prop-2-enylpropanamide is C=CCN(C(=O)[C@H](C)OC)c1ccccc1C(C)(C)C.
What is the InChIKey of (2S)-N-(2-tert-butylphenyl)-2-methoxy-N-prop-2-enylpropanamide?
The InChIKey is BZJGMXZVMCJROX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25NO2/c1-7-12-18(16(19)13(2)20-6)15-11-9-8-10-14(15)17(3,4)5/h7-11,13H,1,12H2,2-6H3/t13-/m0/s1.
What are the key properties of (2S)-N-(2-tert-butylphenyl)-2-methoxy-N-prop-2-enylpropanamide?
(2S)-N-(2-tert-butylphenyl)-2-methoxy-N-prop-2-enylpropanamide has a molecular weight of 275.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-tert-butylphenyl)-2-methoxy-N-prop-2-enylpropanamide is sourced from PubChem (CID 11288870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).