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

C26H27NO2 — CID 164579265

IUPAC(2R,3S)-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+/m0/s1
InChIKeyKHPFUXMVPQSNFS-LOSJGSFVSA-N
MW385.51 g/mol
LogP5.17
Rot. Bonds9

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

(2R,3S)-N-benzyl-2-(4-methylphenyl)-3-phenylmethoxypent-4-enamide (PubChem CID 164579265) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is (2R,3S)-N-benzyl-2-(4-methylphenyl)-3-phenylmethoxypent-4-enamide.

Molecular Properties

Compound Name(2R,3S)-N-benzyl-2-(4-methylphenyl)-3-phenylmethoxypent-4-enamide
PubChem CID164579265
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC Name(2R,3S)-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+/m0/s1
InChIKeyKHPFUXMVPQSNFS-LOSJGSFVSA-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'}

Analyze (2R,3S)-N-benzyl-2-(4-methylphenyl)-3-phenylmethoxypent-4-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(Benzyloxy)ethyl]-2,2-diphenylacetamide
CID 597400
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
Benzhydryl 2-[(2-phenylacetyl)amino]acetate
CID 1310474
2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)-N-methylacetamide
CID 10937393
N-(cyanomethyl)-4-methyl-2-[3-(4-morpholin-2-ylphenyl)phenyl]pentanamide
CID 44348116
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]
CID 87356389
2-phenyl-2-(3-phenylpropoxy)-N-(3-phenylpropyl)butanamide
CID 11373377
(3-(1-(Benzylcarbamoil)Ethyl)Phenyl)(Phenyl)Methylbenzylcarbamate
CID 46837592

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-benzyl-2-(4-methylphenyl)-3-phenylmethoxypent-4-enamide?
The IUPAC name of (2R,3S)-N-benzyl-2-(4-methylphenyl)-3-phenylmethoxypent-4-enamide (CID 164579265) is (2R,3S)-N-benzyl-2-(4-methylphenyl)-3-phenylmethoxypent-4-enamide.
What is the SMILES notation for (2R,3S)-N-benzyl-2-(4-methylphenyl)-3-phenylmethoxypent-4-enamide?
The canonical SMILES for (2R,3S)-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,3S)-N-benzyl-2-(4-methylphenyl)-3-phenylmethoxypent-4-enamide?
The InChIKey is KHPFUXMVPQSNFS-LOSJGSFVSA-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+/m0/s1.
What are the key properties of (2R,3S)-N-benzyl-2-(4-methylphenyl)-3-phenylmethoxypent-4-enamide?
(2R,3S)-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,3S)-N-benzyl-2-(4-methylphenyl)-3-phenylmethoxypent-4-enamide is sourced from PubChem (CID 164579265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).