[3-[[(1R)-2-amino-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]carbamoyl]phenyl] acetate

C25H24N2O5 — CID 118246895

IUPAC[3-[[(1R)-2-amino-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]carbamoyl]phenyl] acetate
SMILESCOc1cccc(CN(C(=O)c2cccc(OC(C)=O)c2)[C@@H](C(N)=O)c2ccccc2)c1
InChIInChI=1S/C25H24N2O5/c1-17(28)32-22-13-7-11-20(15-22)25(30)27(16-18-8-6-12-21(14-18)31-2)23(24(26)29)19-9-4-3-5-10-19/h3-15,23H,16H2,1-2H3,(H2,26,29)/t23-/m1/s1
InChIKeyMBXGTRRJLYOBTG-HSZRJFAPSA-N
MW432.48 g/mol
LogP3.49
Rot. Bonds8

About [3-[[(1R)-2-amino-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]carbamoyl]phenyl] acetate

[3-[[(1R)-2-amino-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]carbamoyl]phenyl] acetate (PubChem CID 118246895) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is [3-[[(1R)-2-amino-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[[(1R)-2-amino-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]carbamoyl]phenyl] acetate
PubChem CID118246895
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name[3-[[(1R)-2-amino-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]carbamoyl]phenyl] acetate
SMILESCOc1cccc(CN(C(=O)c2cccc(OC(C)=O)c2)[C@@H](C(N)=O)c2ccccc2)c1
InChIInChI=1S/C25H24N2O5/c1-17(28)32-22-13-7-11-20(15-22)25(30)27(16-18-8-6-12-21(14-18)31-2)23(24(26)29)19-9-4-3-5-10-19/h3-15,23H,16H2,1-2H3,(H2,26,29)/t23-/m1/s1
InChIKeyMBXGTRRJLYOBTG-HSZRJFAPSA-N
XLogP3.49
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [3-[[(1R)-2-amino-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]carbamoyl]phenyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-oxo-1-phenylethyl)-3-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 118246798
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(3-methylphenyl)methyl]benzamide
CID 118246688
N-[2-amino-1-(3-methylphenyl)-2-oxoethyl]-2-hydroxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 118246904
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(3-cyclopropylphenyl)methyl]benzamide
CID 118246775
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[4-(dimethylamino)phenyl]methyl]benzamide
CID 118246756
2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 51289830
benzyl 3-acetyloxybenzoate
CID 11334719
3-methoxy-N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42725516
3-amino-N-(2-amino-2-oxoethyl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 144888017
N-[(1-benzylpyrrol-2-yl)methyl]-3-methoxy-N-propan-2-ylbenzamide
CID 3550888
1-(3-methoxyphenyl)-3-phenylpentan-1-one
CID 72785339

Frequently Asked Questions

What is the IUPAC name of [3-[[(1R)-2-amino-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]carbamoyl]phenyl] acetate?
The IUPAC name of [3-[[(1R)-2-amino-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]carbamoyl]phenyl] acetate (CID 118246895) is [3-[[(1R)-2-amino-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[[(1R)-2-amino-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [3-[[(1R)-2-amino-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]carbamoyl]phenyl] acetate is COc1cccc(CN(C(=O)c2cccc(OC(C)=O)c2)[C@@H](C(N)=O)c2ccccc2)c1.
What is the InChIKey of [3-[[(1R)-2-amino-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]carbamoyl]phenyl] acetate?
The InChIKey is MBXGTRRJLYOBTG-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-17(28)32-22-13-7-11-20(15-22)25(30)27(16-18-8-6-12-21(14-18)31-2)23(24(26)29)19-9-4-3-5-10-19/h3-15,23H,16H2,1-2H3,(H2,26,29)/t23-/m1/s1.
What are the key properties of [3-[[(1R)-2-amino-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]carbamoyl]phenyl] acetate?
[3-[[(1R)-2-amino-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]carbamoyl]phenyl] acetate has a molecular weight of 432.48 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(1R)-2-amino-2-oxo-1-phenylethyl]-[(3-methoxyphenyl)methyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 118246895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).