[(2R)-1-[(2-methoxy-2-phenylacetyl)amino]-4-phenylbutan-2-yl] 2-methoxy-2-phenylacetate

C28H31NO5 — CID 139251059

IUPAC[(2R)-1-[(2-methoxy-2-phenylacetyl)amino]-4-phenylbutan-2-yl] 2-methoxy-2-phenylacetate
SMILESCOC(C(=O)NC[C@@H](CCc1ccccc1)OC(=O)C(OC)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H31NO5/c1-32-25(22-14-8-4-9-15-22)27(30)29-20-24(19-18-21-12-6-3-7-13-21)34-28(31)26(33-2)23-16-10-5-11-17-23/h3-17,24-26H,18-20H2,1-2H3,(H,29,30)/t24-,25?,26?/m1/s1
InChIKeyPOJOIJLPLCJIAR-JDSVYEKJSA-N
MW461.56 g/mol
LogP4.42
Rot. Bonds12

About [(2R)-1-[(2-methoxy-2-phenylacetyl)amino]-4-phenylbutan-2-yl] 2-methoxy-2-phenylacetate

[(2R)-1-[(2-methoxy-2-phenylacetyl)amino]-4-phenylbutan-2-yl] 2-methoxy-2-phenylacetate (PubChem CID 139251059) has the molecular formula C28H31NO5 and a molecular weight of 461.56 g/mol. Its IUPAC name is [(2R)-1-[(2-methoxy-2-phenylacetyl)amino]-4-phenylbutan-2-yl] 2-methoxy-2-phenylacetate.

Molecular Properties

Compound Name[(2R)-1-[(2-methoxy-2-phenylacetyl)amino]-4-phenylbutan-2-yl] 2-methoxy-2-phenylacetate
PubChem CID139251059
Molecular FormulaC28H31NO5
Molecular Weight461.56 g/mol
Exact Mass461.22
IUPAC Name[(2R)-1-[(2-methoxy-2-phenylacetyl)amino]-4-phenylbutan-2-yl] 2-methoxy-2-phenylacetate
SMILESCOC(C(=O)NC[C@@H](CCc1ccccc1)OC(=O)C(OC)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H31NO5/c1-32-25(22-14-8-4-9-15-22)27(30)29-20-24(19-18-21-12-6-3-7-13-21)34-28(31)26(33-2)23-16-10-5-11-17-23/h3-17,24-26H,18-20H2,1-2H3,(H,29,30)/t24-,25?,26?/m1/s1
InChIKeyPOJOIJLPLCJIAR-JDSVYEKJSA-N
XLogP4.42
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-[(2-methoxy-2-phenylacetyl)amino]-4-phenylbutan-2-yl] 2-methoxy-2-phenylacetate with MolForge

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Related Compounds

tert-butyl N-[(2S)-2-hydroxy-4-phenylbutyl]carbamate;(2S)-2-methoxy-2-phenylacetic acid;[1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutan-2-yl] (2S)-2-methoxy-2-phenylacetate
CID 161023808
(2R)-3-[[(2S)-2-methoxy-2-phenylacetyl]amino]-2-phenylpropanoic acid
CID 124724861
(2S)-2-methoxy-N-[(2R)-3-methyl-2-phenylbutyl]-2-phenylacetamide
CID 95633628
4-[2-[(2-methoxy-2-phenylacetyl)amino]ethyl]benzoic acid
CID 119038942
2-[[(2-methoxy-2-phenylacetyl)amino]methyl]-3-methylbutanoic acid
CID 65219999
4-[[(2R)-2-methoxy-2-phenylacetyl]amino]-3-methylbutanoic acid
CID 120689719
N-(5-amino-4-methylpentyl)-2-methoxy-2-phenylacetamide
CID 106153440
N-(2-cyanopropyl)-2-methoxy-2-phenylacetamide
CID 62653112
(2R)-N-[2-(4-acetamidophenyl)ethyl]-2-methoxy-2-phenylacetamide
CID 95316508
1-methoxy-1,5-diphenylpentan-2-one
CID 116751355
(2R)-2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 6543594
(2S)-N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-methoxy-2-phenylacetamide
CID 97019721

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2-methoxy-2-phenylacetyl)amino]-4-phenylbutan-2-yl] 2-methoxy-2-phenylacetate?
The IUPAC name of [(2R)-1-[(2-methoxy-2-phenylacetyl)amino]-4-phenylbutan-2-yl] 2-methoxy-2-phenylacetate (CID 139251059) is [(2R)-1-[(2-methoxy-2-phenylacetyl)amino]-4-phenylbutan-2-yl] 2-methoxy-2-phenylacetate.
What is the SMILES notation for [(2R)-1-[(2-methoxy-2-phenylacetyl)amino]-4-phenylbutan-2-yl] 2-methoxy-2-phenylacetate?
The canonical SMILES for [(2R)-1-[(2-methoxy-2-phenylacetyl)amino]-4-phenylbutan-2-yl] 2-methoxy-2-phenylacetate is COC(C(=O)NC[C@@H](CCc1ccccc1)OC(=O)C(OC)c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R)-1-[(2-methoxy-2-phenylacetyl)amino]-4-phenylbutan-2-yl] 2-methoxy-2-phenylacetate?
The InChIKey is POJOIJLPLCJIAR-JDSVYEKJSA-N. The full InChI is InChI=1S/C28H31NO5/c1-32-25(22-14-8-4-9-15-22)27(30)29-20-24(19-18-21-12-6-3-7-13-21)34-28(31)26(33-2)23-16-10-5-11-17-23/h3-17,24-26H,18-20H2,1-2H3,(H,29,30)/t24-,25?,26?/m1/s1.
What are the key properties of [(2R)-1-[(2-methoxy-2-phenylacetyl)amino]-4-phenylbutan-2-yl] 2-methoxy-2-phenylacetate?
[(2R)-1-[(2-methoxy-2-phenylacetyl)amino]-4-phenylbutan-2-yl] 2-methoxy-2-phenylacetate has a molecular weight of 461.56 g/mol, XLogP of 4.42, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2-methoxy-2-phenylacetyl)amino]-4-phenylbutan-2-yl] 2-methoxy-2-phenylacetate is sourced from PubChem (CID 139251059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).