[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-methoxybenzoate

C20H23NO4 — CID 3462492

IUPAC[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C20H23NO4/c1-15(12-13-16-8-4-3-5-9-16)21-19(22)14-25-20(23)17-10-6-7-11-18(17)24-2/h3-11,15H,12-14H2,1-2H3,(H,21,22)
InChIKeyIYUPRLMJNITFPZ-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.99
Rot. Bonds8

About [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-methoxybenzoate

[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-methoxybenzoate (PubChem CID 3462492) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-methoxybenzoate
PubChem CID3462492
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C20H23NO4/c1-15(12-13-16-8-4-3-5-9-16)21-19(22)14-25-20(23)17-10-6-7-11-18(17)24-2/h3-11,15H,12-14H2,1-2H3,(H,21,22)
InChIKeyIYUPRLMJNITFPZ-UHFFFAOYSA-N
XLogP2.99
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-methoxybenzoate 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

Mersalyl
CID 9806195
Tcmdc-123621
CID 2400619
2-(2-{[(1S)-1-benzyl-2-hydroxyethyl]amino}-2-oxoethoxy)-N-butyl-6-fluoro-N-methylbenzamide
CID 44968179
2-{[(2-Methoxy-1-methylethyl)amino]carbonyl}phenyl acetate
CID 2905306
2-(2-benzoyl-5-methoxyphenoxy)-N-cyclopropylacetamide
CID 728861
[2-(Benzhydrylamino)-2-oxoethyl] 2-hydroxybenzoate
CID 2343076
[2-(Cyclohexylamino)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 2343761
N-[2-(4-fluorophenyl)ethyl]-4-oxochromene-2-carboxamide
CID 2349172
[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxybenzoate
CID 2364511
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2365487
[2-(Cyclopentylamino)-2-oxoethyl] 4-butoxybenzoate
CID 2434464
[2-(Benzylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523281

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-methoxybenzoate?
The IUPAC name of [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-methoxybenzoate (CID 3462492) is [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-methoxybenzoate?
The canonical SMILES for [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-methoxybenzoate is COc1ccccc1C(=O)OCC(=O)NC(C)CCc1ccccc1.
What is the InChIKey of [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-methoxybenzoate?
The InChIKey is IYUPRLMJNITFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-15(12-13-16-8-4-3-5-9-16)21-19(22)14-25-20(23)17-10-6-7-11-18(17)24-2/h3-11,15H,12-14H2,1-2H3,(H,21,22).
What are the key properties of [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-methoxybenzoate?
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-methoxybenzoate has a molecular weight of 341.41 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-methoxybenzoate is sourced from PubChem (CID 3462492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).