[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate

C23H27NO4 — CID 7722308

IUPAC[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate
SMILESCOc1ccc(C)cc1NC(=O)[C@H](OC(=O)CC1CCCC1)c1ccccc1
InChIInChI=1S/C23H27NO4/c1-16-12-13-20(27-2)19(14-16)24-23(26)22(18-10-4-3-5-11-18)28-21(25)15-17-8-6-7-9-17/h3-5,10-14,17,22H,6-9,15H2,1-2H3,(H,24,26)/t22-/m1/s1
InChIKeyCYMCVAZOBIAZTG-JOCHJYFZSA-N
MW381.47 g/mol
LogP4.81
Rot. Bonds7

About [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate

[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate (PubChem CID 7722308) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate.

Molecular Properties

Compound Name[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate
PubChem CID7722308
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate
SMILESCOc1ccc(C)cc1NC(=O)[C@H](OC(=O)CC1CCCC1)c1ccccc1
InChIInChI=1S/C23H27NO4/c1-16-12-13-20(27-2)19(14-16)24-23(26)22(18-10-4-3-5-11-18)28-21(25)15-17-8-6-7-9-17/h3-5,10-14,17,22H,6-9,15H2,1-2H3,(H,24,26)/t22-/m1/s1
InChIKeyCYMCVAZOBIAZTG-JOCHJYFZSA-N
XLogP4.81
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate 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

[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methoxyacetate
CID 8015324
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9065629
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3,3-dimethylbutanoate
CID 7950653
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
cis-[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 8019572
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] (E)-but-2-enoate
CID 2507805
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(3-methylphenoxy)acetate
CID 7853368
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-thiophen-3-ylacetate
CID 7765424
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 43063477
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(1,1-dioxothiolan-3-yl)acetate
CID 45352131
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methylbenzoate
CID 4853970
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 4783200

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate?
The IUPAC name of [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate (CID 7722308) is [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate.
What is the SMILES notation for [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate?
The canonical SMILES for [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate is COc1ccc(C)cc1NC(=O)[C@H](OC(=O)CC1CCCC1)c1ccccc1.
What is the InChIKey of [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate?
The InChIKey is CYMCVAZOBIAZTG-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H27NO4/c1-16-12-13-20(27-2)19(14-16)24-23(26)22(18-10-4-3-5-11-18)28-21(25)15-17-8-6-7-9-17/h3-5,10-14,17,22H,6-9,15H2,1-2H3,(H,24,26)/t22-/m1/s1.
What are the key properties of [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate?
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate has a molecular weight of 381.47 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate is sourced from PubChem (CID 7722308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).