[(2R)-2-[(2-methoxy-2-phenylacetyl)amino]-3-methylbutyl] 2-methoxy-2-phenylacetate

C23H29NO5 — CID 139251068

IUPAC[(2R)-2-[(2-methoxy-2-phenylacetyl)amino]-3-methylbutyl] 2-methoxy-2-phenylacetate
SMILESCOC(C(=O)N[C@@H](COC(=O)C(OC)c1ccccc1)C(C)C)c1ccccc1
InChIInChI=1S/C23H29NO5/c1-16(2)19(24-22(25)20(27-3)17-11-7-5-8-12-17)15-29-23(26)21(28-4)18-13-9-6-10-14-18/h5-14,16,19-21H,15H2,1-4H3,(H,24,25)/t19-,20?,21?/m0/s1
InChIKeyVJWJGYBQOLVREI-MWXLCCTBSA-N
MW399.49 g/mol
LogP3.45
Rot. Bonds10

About [(2R)-2-[(2-methoxy-2-phenylacetyl)amino]-3-methylbutyl] 2-methoxy-2-phenylacetate

[(2R)-2-[(2-methoxy-2-phenylacetyl)amino]-3-methylbutyl] 2-methoxy-2-phenylacetate (PubChem CID 139251068) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is [(2R)-2-[(2-methoxy-2-phenylacetyl)amino]-3-methylbutyl] 2-methoxy-2-phenylacetate.

Molecular Properties

Compound Name[(2R)-2-[(2-methoxy-2-phenylacetyl)amino]-3-methylbutyl] 2-methoxy-2-phenylacetate
PubChem CID139251068
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Name[(2R)-2-[(2-methoxy-2-phenylacetyl)amino]-3-methylbutyl] 2-methoxy-2-phenylacetate
SMILESCOC(C(=O)N[C@@H](COC(=O)C(OC)c1ccccc1)C(C)C)c1ccccc1
InChIInChI=1S/C23H29NO5/c1-16(2)19(24-22(25)20(27-3)17-11-7-5-8-12-17)15-29-23(26)21(28-4)18-13-9-6-10-14-18/h5-14,16,19-21H,15H2,1-4H3,(H,24,25)/t19-,20?,21?/m0/s1
InChIKeyVJWJGYBQOLVREI-MWXLCCTBSA-N
XLogP3.45
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-phenylethyl)-2-methoxy-2-phenylacetamide
CID 63755766
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 78986376
(2S)-2-methoxy-2-phenyl-N-[(1R)-1-phenylethyl]acetamide
CID 10378386
N-(1-aminobutan-2-yl)-2-methoxy-2-phenylacetamide
CID 63753357
3-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-phenylpropanamide
CID 65047695
N-(5-amino-4-methylpentyl)-2-methoxy-2-phenylacetamide
CID 106153440
(2R)-3-hydroxy-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 80750625
N-(1-hydroxy-4-methylpentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
CID 109380007
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
N-(3-hydroxy-1-phenylpropyl)-2-methoxy-2-phenylacetamide
CID 110025911
(2S)-2-methoxy-N-[(2R)-3-methyl-2-phenylbutyl]-2-phenylacetamide
CID 95633628
2-[[(2-methoxy-2-phenylacetyl)amino]methyl]-3-methylbutanoic acid
CID 65219999

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2-methoxy-2-phenylacetyl)amino]-3-methylbutyl] 2-methoxy-2-phenylacetate?
The IUPAC name of [(2R)-2-[(2-methoxy-2-phenylacetyl)amino]-3-methylbutyl] 2-methoxy-2-phenylacetate (CID 139251068) is [(2R)-2-[(2-methoxy-2-phenylacetyl)amino]-3-methylbutyl] 2-methoxy-2-phenylacetate.
What is the SMILES notation for [(2R)-2-[(2-methoxy-2-phenylacetyl)amino]-3-methylbutyl] 2-methoxy-2-phenylacetate?
The canonical SMILES for [(2R)-2-[(2-methoxy-2-phenylacetyl)amino]-3-methylbutyl] 2-methoxy-2-phenylacetate is COC(C(=O)N[C@@H](COC(=O)C(OC)c1ccccc1)C(C)C)c1ccccc1.
What is the InChIKey of [(2R)-2-[(2-methoxy-2-phenylacetyl)amino]-3-methylbutyl] 2-methoxy-2-phenylacetate?
The InChIKey is VJWJGYBQOLVREI-MWXLCCTBSA-N. The full InChI is InChI=1S/C23H29NO5/c1-16(2)19(24-22(25)20(27-3)17-11-7-5-8-12-17)15-29-23(26)21(28-4)18-13-9-6-10-14-18/h5-14,16,19-21H,15H2,1-4H3,(H,24,25)/t19-,20?,21?/m0/s1.
What are the key properties of [(2R)-2-[(2-methoxy-2-phenylacetyl)amino]-3-methylbutyl] 2-methoxy-2-phenylacetate?
[(2R)-2-[(2-methoxy-2-phenylacetyl)amino]-3-methylbutyl] 2-methoxy-2-phenylacetate has a molecular weight of 399.49 g/mol, XLogP of 3.45, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2-methoxy-2-phenylacetyl)amino]-3-methylbutyl] 2-methoxy-2-phenylacetate is sourced from PubChem (CID 139251068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).