methyl (2R)-2-[benzoyl-[(3-methoxyphenyl)methyl]amino]-2-phenylacetate

C24H23NO4 — CID 134156923

IUPACmethyl (2R)-2-[benzoyl-[(3-methoxyphenyl)methyl]amino]-2-phenylacetate
SMILESCOC(=O)[C@@H](c1ccccc1)N(Cc1cccc(OC)c1)C(=O)c1ccccc1
InChIInChI=1S/C24H23NO4/c1-28-21-15-9-10-18(16-21)17-25(23(26)20-13-7-4-8-14-20)22(24(27)29-2)19-11-5-3-6-12-19/h3-16,22H,17H2,1-2H3/t22-/m1/s1
InChIKeyIJHZFCYJHLQSFC-JOCHJYFZSA-N
MW389.45 g/mol
LogP4.25
Rot. Bonds7

About methyl (2R)-2-[benzoyl-[(3-methoxyphenyl)methyl]amino]-2-phenylacetate

methyl (2R)-2-[benzoyl-[(3-methoxyphenyl)methyl]amino]-2-phenylacetate (PubChem CID 134156923) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is methyl (2R)-2-[benzoyl-[(3-methoxyphenyl)methyl]amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[benzoyl-[(3-methoxyphenyl)methyl]amino]-2-phenylacetate
PubChem CID134156923
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Namemethyl (2R)-2-[benzoyl-[(3-methoxyphenyl)methyl]amino]-2-phenylacetate
SMILESCOC(=O)[C@@H](c1ccccc1)N(Cc1cccc(OC)c1)C(=O)c1ccccc1
InChIInChI=1S/C24H23NO4/c1-28-21-15-9-10-18(16-21)17-25(23(26)20-13-7-4-8-14-20)22(24(27)29-2)19-11-5-3-6-12-19/h3-16,22H,17H2,1-2H3/t22-/m1/s1
InChIKeyIJHZFCYJHLQSFC-JOCHJYFZSA-N
XLogP4.25
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[benzoyl-[(3-methoxyphenyl)methyl]amino]-2-phenylacetate?
The IUPAC name of methyl (2R)-2-[benzoyl-[(3-methoxyphenyl)methyl]amino]-2-phenylacetate (CID 134156923) is methyl (2R)-2-[benzoyl-[(3-methoxyphenyl)methyl]amino]-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-[benzoyl-[(3-methoxyphenyl)methyl]amino]-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-[benzoyl-[(3-methoxyphenyl)methyl]amino]-2-phenylacetate is COC(=O)[C@@H](c1ccccc1)N(Cc1cccc(OC)c1)C(=O)c1ccccc1.
What is the InChIKey of methyl (2R)-2-[benzoyl-[(3-methoxyphenyl)methyl]amino]-2-phenylacetate?
The InChIKey is IJHZFCYJHLQSFC-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H23NO4/c1-28-21-15-9-10-18(16-21)17-25(23(26)20-13-7-4-8-14-20)22(24(27)29-2)19-11-5-3-6-12-19/h3-16,22H,17H2,1-2H3/t22-/m1/s1.
What are the key properties of methyl (2R)-2-[benzoyl-[(3-methoxyphenyl)methyl]amino]-2-phenylacetate?
methyl (2R)-2-[benzoyl-[(3-methoxyphenyl)methyl]amino]-2-phenylacetate has a molecular weight of 389.45 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[benzoyl-[(3-methoxyphenyl)methyl]amino]-2-phenylacetate is sourced from PubChem (CID 134156923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).