(2R,3S)-N-benzyl-2-phenyl-3-phenylmethoxypent-4-enamide

C25H25NO2 — CID 164579287

IUPAC(2R,3S)-N-benzyl-2-phenyl-3-phenylmethoxypent-4-enamide
SMILESC=C[C@H](OCc1ccccc1)[C@H](C(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO2/c1-2-23(28-19-21-14-8-4-9-15-21)24(22-16-10-5-11-17-22)25(27)26-18-20-12-6-3-7-13-20/h2-17,23-24H,1,18-19H2,(H,26,27)/t23-,24+/m0/s1
InChIKeyUVUUOVFXUXIJFA-BJKOFHAPSA-N
MW371.48 g/mol
LogP4.86
Rot. Bonds9

About (2R,3S)-N-benzyl-2-phenyl-3-phenylmethoxypent-4-enamide

(2R,3S)-N-benzyl-2-phenyl-3-phenylmethoxypent-4-enamide (PubChem CID 164579287) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is (2R,3S)-N-benzyl-2-phenyl-3-phenylmethoxypent-4-enamide.

Molecular Properties

Compound Name(2R,3S)-N-benzyl-2-phenyl-3-phenylmethoxypent-4-enamide
PubChem CID164579287
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name(2R,3S)-N-benzyl-2-phenyl-3-phenylmethoxypent-4-enamide
SMILESC=C[C@H](OCc1ccccc1)[C@H](C(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO2/c1-2-23(28-19-21-14-8-4-9-15-21)24(22-16-10-5-11-17-22)25(27)26-18-20-12-6-3-7-13-20/h2-17,23-24H,1,18-19H2,(H,26,27)/t23-,24+/m0/s1
InChIKeyUVUUOVFXUXIJFA-BJKOFHAPSA-N
XLogP4.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.86
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

N-[2-(Benzyloxy)ethyl]-2,2-diphenylacetamide
CID 597400
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-phenylacetamide
CID 2870138
N-[2-(benzyloxy)ethyl]-3,3-diphenylpropanamide
CID 6456612
Benzyl 2-[(2,2-diphenylacetyl)amino]acetate
CID 1100660
[2''-(3-Methyl-butylcarbamoyl)-biphenyl-2-ylmethyl]-carbamic acid benzyl ester
CID 9932430
N-(2-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-ethyl)-2-(4-fluoro-phenyl)-acetamide
CID 9980795
N-(3-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-propyl)-2-phenyl-acetamide
CID 10575012
N-(2-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-ethyl)-2-phenyl-acetamide
CID 10788455
Benzhydryl 2-[(2-phenylacetyl)amino]acetate
CID 1310474
[(R)-1-Methyl-2-phenyl-1-((S)-1-phenyl-ethylcarbamoyl)-ethyl]-carbamic acid (R)-2-methyl-1-phenyl-propyl ester
CID 10504093
2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)-N-methylacetamide
CID 10937393
Methyl 4-[4-[2-(benzylamino)-2-oxoethyl]phenyl]benzoate
CID 90681443

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-benzyl-2-phenyl-3-phenylmethoxypent-4-enamide?
The IUPAC name of (2R,3S)-N-benzyl-2-phenyl-3-phenylmethoxypent-4-enamide (CID 164579287) is (2R,3S)-N-benzyl-2-phenyl-3-phenylmethoxypent-4-enamide.
What is the SMILES notation for (2R,3S)-N-benzyl-2-phenyl-3-phenylmethoxypent-4-enamide?
The canonical SMILES for (2R,3S)-N-benzyl-2-phenyl-3-phenylmethoxypent-4-enamide is C=C[C@H](OCc1ccccc1)[C@H](C(=O)NCc1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3S)-N-benzyl-2-phenyl-3-phenylmethoxypent-4-enamide?
The InChIKey is UVUUOVFXUXIJFA-BJKOFHAPSA-N. The full InChI is InChI=1S/C25H25NO2/c1-2-23(28-19-21-14-8-4-9-15-21)24(22-16-10-5-11-17-22)25(27)26-18-20-12-6-3-7-13-20/h2-17,23-24H,1,18-19H2,(H,26,27)/t23-,24+/m0/s1.
What are the key properties of (2R,3S)-N-benzyl-2-phenyl-3-phenylmethoxypent-4-enamide?
(2R,3S)-N-benzyl-2-phenyl-3-phenylmethoxypent-4-enamide has a molecular weight of 371.48 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-benzyl-2-phenyl-3-phenylmethoxypent-4-enamide is sourced from PubChem (CID 164579287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).