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

C26H27NO2 — CID 164579283

IUPAC(2R,3R)-N-benzyl-2-(4-methylphenyl)-3-phenylmethoxypent-4-enamide
SMILESC=C[C@@H](OCc1ccccc1)[C@H](C(=O)NCc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C26H27NO2/c1-3-24(29-19-22-12-8-5-9-13-22)25(23-16-14-20(2)15-17-23)26(28)27-18-21-10-6-4-7-11-21/h3-17,24-25H,1,18-19H2,2H3,(H,27,28)/t24-,25-/m1/s1
InChIKeyKHPFUXMVPQSNFS-JWQCQUIFSA-N
MW385.51 g/mol
LogP5.17
Rot. Bonds9

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

(2R,3R)-N-benzyl-2-(4-methylphenyl)-3-phenylmethoxypent-4-enamide (PubChem CID 164579283) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is (2R,3R)-N-benzyl-2-(4-methylphenyl)-3-phenylmethoxypent-4-enamide.

Molecular Properties

Compound Name(2R,3R)-N-benzyl-2-(4-methylphenyl)-3-phenylmethoxypent-4-enamide
PubChem CID164579283
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC Name(2R,3R)-N-benzyl-2-(4-methylphenyl)-3-phenylmethoxypent-4-enamide
SMILESC=C[C@@H](OCc1ccccc1)[C@H](C(=O)NCc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C26H27NO2/c1-3-24(29-19-22-12-8-5-9-13-22)25(23-16-14-20(2)15-17-23)26(28)27-18-21-10-6-4-7-11-21/h3-17,24-25H,1,18-19H2,2H3,(H,27,28)/t24-,25-/m1/s1
InChIKeyKHPFUXMVPQSNFS-JWQCQUIFSA-N
XLogP5.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.17
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

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[2''-(3-Methyl-butylcarbamoyl)-biphenyl-2-ylmethyl]-carbamic acid benzyl ester
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Benzhydryl 2-[(2-phenylacetyl)amino]acetate
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2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)-N-methylacetamide
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Methyl 4-[4-[2-(benzylamino)-2-oxoethyl]phenyl]benzoate
CID 90681443
2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 3142634
US8609678, 4-(ethoxydiphenylmethyl)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide [102]
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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-benzyl-2-(4-methylphenyl)-3-phenylmethoxypent-4-enamide?
The IUPAC name of (2R,3R)-N-benzyl-2-(4-methylphenyl)-3-phenylmethoxypent-4-enamide (CID 164579283) is (2R,3R)-N-benzyl-2-(4-methylphenyl)-3-phenylmethoxypent-4-enamide.
What is the SMILES notation for (2R,3R)-N-benzyl-2-(4-methylphenyl)-3-phenylmethoxypent-4-enamide?
The canonical SMILES for (2R,3R)-N-benzyl-2-(4-methylphenyl)-3-phenylmethoxypent-4-enamide is C=C[C@@H](OCc1ccccc1)[C@H](C(=O)NCc1ccccc1)c1ccc(C)cc1.
What is the InChIKey of (2R,3R)-N-benzyl-2-(4-methylphenyl)-3-phenylmethoxypent-4-enamide?
The InChIKey is KHPFUXMVPQSNFS-JWQCQUIFSA-N. The full InChI is InChI=1S/C26H27NO2/c1-3-24(29-19-22-12-8-5-9-13-22)25(23-16-14-20(2)15-17-23)26(28)27-18-21-10-6-4-7-11-21/h3-17,24-25H,1,18-19H2,2H3,(H,27,28)/t24-,25-/m1/s1.
What are the key properties of (2R,3R)-N-benzyl-2-(4-methylphenyl)-3-phenylmethoxypent-4-enamide?
(2R,3R)-N-benzyl-2-(4-methylphenyl)-3-phenylmethoxypent-4-enamide has a molecular weight of 385.51 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-benzyl-2-(4-methylphenyl)-3-phenylmethoxypent-4-enamide is sourced from PubChem (CID 164579283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).