[2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate

C26H25NO3 — CID 8530232

IUPAC[2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2)CC1)N[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H25NO3/c28-24(19-30-25(29)26(16-17-26)22-14-8-3-9-15-22)27-23(21-12-6-2-7-13-21)18-20-10-4-1-5-11-20/h1-15,23H,16-19H2,(H,27,28)/t23-/m0/s1
InChIKeyYHRJNPSJTGFYFM-QHCPKHFHSA-N
MW399.49 g/mol
LogP4.36
Rot. Bonds8

About [2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate

[2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate (PubChem CID 8530232) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is [2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
PubChem CID8530232
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Name[2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2)CC1)N[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H25NO3/c28-24(19-30-25(29)26(16-17-26)22-14-8-3-9-15-22)27-23(21-12-6-2-7-13-21)18-20-10-4-1-5-11-20/h1-15,23H,16-19H2,(H,27,28)/t23-/m0/s1
InChIKeyYHRJNPSJTGFYFM-QHCPKHFHSA-N
XLogP4.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-phenylcyclopropane-1-carboxylate
CID 2113866
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 7521106
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 1-phenylcyclopentane-1-carboxylate
CID 7455392
[2-oxo-2-(1-phenylethylamino)ethyl] 1-phenylcyclopentane-1-carboxylate
CID 18075665
4-O-[2-(1,2-diphenylethylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 55373772
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 18201850
[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8641475
[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8641485
[2-(1,2-diphenylethylamino)-2-oxoethyl] 2-fluorobenzoate
CID 18193784
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-phenylcyclopropane-1-carboxylate
CID 8587838
[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 8520166
[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The IUPAC name of [2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate (CID 8530232) is [2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The canonical SMILES for [2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate is O=C(COC(=O)C1(c2ccccc2)CC1)N[C@@H](Cc1ccccc1)c1ccccc1.
What is the InChIKey of [2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The InChIKey is YHRJNPSJTGFYFM-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H25NO3/c28-24(19-30-25(29)26(16-17-26)22-14-8-3-9-15-22)27-23(21-12-6-2-7-13-21)18-20-10-4-1-5-11-20/h1-15,23H,16-19H2,(H,27,28)/t23-/m0/s1.
What are the key properties of [2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
[2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate has a molecular weight of 399.49 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 8530232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).