2-[benzyl-[[(2S)-oxiran-2-yl]methyl]amino]-N-(4-phenylmethoxyphenyl)acetamide

C25H26N2O3 — CID 101360196

IUPAC2-[benzyl-[[(2S)-oxiran-2-yl]methyl]amino]-N-(4-phenylmethoxyphenyl)acetamide
SMILESO=C(CN(Cc1ccccc1)C[C@H]1CO1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H26N2O3/c28-25(17-27(16-24-19-30-24)15-20-7-3-1-4-8-20)26-22-11-13-23(14-12-22)29-18-21-9-5-2-6-10-21/h1-14,24H,15-19H2,(H,26,28)/t24-/m0/s1
InChIKeyUUZPZVTYETZXPE-DEOSSOPVSA-N
MW402.49 g/mol
LogP4.11
Rot. Bonds10

About 2-[benzyl-[[(2S)-oxiran-2-yl]methyl]amino]-N-(4-phenylmethoxyphenyl)acetamide

2-[benzyl-[[(2S)-oxiran-2-yl]methyl]amino]-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 101360196) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-[benzyl-[[(2S)-oxiran-2-yl]methyl]amino]-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-[[(2S)-oxiran-2-yl]methyl]amino]-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID101360196
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name2-[benzyl-[[(2S)-oxiran-2-yl]methyl]amino]-N-(4-phenylmethoxyphenyl)acetamide
SMILESO=C(CN(Cc1ccccc1)C[C@H]1CO1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H26N2O3/c28-25(17-27(16-24-19-30-24)15-20-7-3-1-4-8-20)26-22-11-13-23(14-12-22)29-18-21-9-5-2-6-10-21/h1-14,24H,15-19H2,(H,26,28)/t24-/m0/s1
InChIKeyUUZPZVTYETZXPE-DEOSSOPVSA-N
XLogP4.11
TPSA54.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[benzyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 60514317
2-[acetyl(benzyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113161318
2-[acetyl(cyclopentyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113159367
2-[acetyl(tert-butyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113166215
2-morpholin-2-yl-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
CID 119669321
2-[2-aminoethyl(benzyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 113442235
2-(2-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 8573191
2-[(4-tert-butylphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 2552725
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 126068356
methyl 2-[benzyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60565339
2-(dibenzylamino)-N-(4-methylphenyl)acetamide
CID 18870817
2-[benzyl(prop-2-enyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 35164000

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[[(2S)-oxiran-2-yl]methyl]amino]-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-[benzyl-[[(2S)-oxiran-2-yl]methyl]amino]-N-(4-phenylmethoxyphenyl)acetamide (CID 101360196) is 2-[benzyl-[[(2S)-oxiran-2-yl]methyl]amino]-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-[benzyl-[[(2S)-oxiran-2-yl]methyl]amino]-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-[benzyl-[[(2S)-oxiran-2-yl]methyl]amino]-N-(4-phenylmethoxyphenyl)acetamide is O=C(CN(Cc1ccccc1)C[C@H]1CO1)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-[benzyl-[[(2S)-oxiran-2-yl]methyl]amino]-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is UUZPZVTYETZXPE-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H26N2O3/c28-25(17-27(16-24-19-30-24)15-20-7-3-1-4-8-20)26-22-11-13-23(14-12-22)29-18-21-9-5-2-6-10-21/h1-14,24H,15-19H2,(H,26,28)/t24-/m0/s1.
What are the key properties of 2-[benzyl-[[(2S)-oxiran-2-yl]methyl]amino]-N-(4-phenylmethoxyphenyl)acetamide?
2-[benzyl-[[(2S)-oxiran-2-yl]methyl]amino]-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 402.49 g/mol, XLogP of 4.11, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[[(2S)-oxiran-2-yl]methyl]amino]-N-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 101360196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).