(2S,3R)-3-ethenyl-2-methyl-N-phenylhexanamide

C15H21NO — CID 14175926

IUPAC(2S,3R)-3-ethenyl-2-methyl-N-phenylhexanamide
SMILESC=C[C@@H](CCC)[C@H](C)C(=O)Nc1ccccc1
InChIInChI=1S/C15H21NO/c1-4-9-13(5-2)12(3)15(17)16-14-10-7-6-8-11-14/h5-8,10-13H,2,4,9H2,1,3H3,(H,16,17)/t12-,13-/m0/s1
InChIKeyHPGMZDCHIYZODR-STQMWFEESA-N
MW231.34 g/mol
LogP3.86
Rot. Bonds6

About (2S,3R)-3-ethenyl-2-methyl-N-phenylhexanamide

(2S,3R)-3-ethenyl-2-methyl-N-phenylhexanamide (PubChem CID 14175926) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (2S,3R)-3-ethenyl-2-methyl-N-phenylhexanamide.

Molecular Properties

Compound Name(2S,3R)-3-ethenyl-2-methyl-N-phenylhexanamide
PubChem CID14175926
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(2S,3R)-3-ethenyl-2-methyl-N-phenylhexanamide
SMILESC=C[C@@H](CCC)[C@H](C)C(=O)Nc1ccccc1
InChIInChI=1S/C15H21NO/c1-4-9-13(5-2)12(3)15(17)16-14-10-7-6-8-11-14/h5-8,10-13H,2,4,9H2,1,3H3,(H,16,17)/t12-,13-/m0/s1
InChIKeyHPGMZDCHIYZODR-STQMWFEESA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-phenylpentanamide
CID 4627801
S-[(3R)-hex-1-en-3-yl] N-phenylcarbamothioate
CID 46854146
2-bromo-N-phenylpentanamide
CID 56980184
2-(pentan-2-ylamino)-N-phenylpropanamide
CID 43083650
(2R)-2-methoxy-N-phenylpentanamide
CID 70193042
2-(2-hydroxypentylamino)-N-phenylpropanamide
CID 113495789
2-tert-butyl-N-phenylheptanamide
CID 67683128
4-methyl-3-oxo-N,2-diphenylhex-5-enamide
CID 174817728
2-methyl-N,4,4-triphenylbut-3-enamide
CID 134919204
5-anilino-4-methyl-5-oxopentanoic acid
CID 58720000
ethyl 4-anilino-3-methyl-4-oxobutanoate
CID 10633516
(2R)-2-amino-N-phenylpropanamide
CID 10607114

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-ethenyl-2-methyl-N-phenylhexanamide?
The IUPAC name of (2S,3R)-3-ethenyl-2-methyl-N-phenylhexanamide (CID 14175926) is (2S,3R)-3-ethenyl-2-methyl-N-phenylhexanamide.
What is the SMILES notation for (2S,3R)-3-ethenyl-2-methyl-N-phenylhexanamide?
The canonical SMILES for (2S,3R)-3-ethenyl-2-methyl-N-phenylhexanamide is C=C[C@@H](CCC)[C@H](C)C(=O)Nc1ccccc1.
What is the InChIKey of (2S,3R)-3-ethenyl-2-methyl-N-phenylhexanamide?
The InChIKey is HPGMZDCHIYZODR-STQMWFEESA-N. The full InChI is InChI=1S/C15H21NO/c1-4-9-13(5-2)12(3)15(17)16-14-10-7-6-8-11-14/h5-8,10-13H,2,4,9H2,1,3H3,(H,16,17)/t12-,13-/m0/s1.
What are the key properties of (2S,3R)-3-ethenyl-2-methyl-N-phenylhexanamide?
(2S,3R)-3-ethenyl-2-methyl-N-phenylhexanamide has a molecular weight of 231.34 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-ethenyl-2-methyl-N-phenylhexanamide is sourced from PubChem (CID 14175926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).