[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

C24H25NO4 — CID 8951977

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)OCC(=O)NCCc3ccccc3)ccc2c1
InChIInChI=1S/C24H25NO4/c1-17(19-8-9-21-15-22(28-2)11-10-20(21)14-19)24(27)29-16-23(26)25-13-12-18-6-4-3-5-7-18/h3-11,14-15,17H,12-13,16H2,1-2H3,(H,25,26)/t17-/m0/s1
InChIKeyMOAWMOQGFKUXCQ-KRWDZBQOSA-N
MW391.47 g/mol
LogP3.85
Rot. Bonds8

About [2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 8951977) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID8951977
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)OCC(=O)NCCc3ccccc3)ccc2c1
InChIInChI=1S/C24H25NO4/c1-17(19-8-9-21-15-22(28-2)11-10-20(21)14-19)24(27)29-16-23(26)25-13-12-18-6-4-3-5-7-18/h3-11,14-15,17H,12-13,16H2,1-2H3,(H,25,26)/t17-/m0/s1
InChIKeyMOAWMOQGFKUXCQ-KRWDZBQOSA-N
XLogP3.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate 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

(2-anilino-2-oxoethyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951841
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952748
[2-(2-methylanilino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951836
3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide
CID 110297227
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952389
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 8791419
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952145
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952277
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3,3-diphenylpropanoate
CID 8752538
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 129098564
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951801

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (CID 8951977) is [2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc([C@H](C)C(=O)OCC(=O)NCCc3ccccc3)ccc2c1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is MOAWMOQGFKUXCQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H25NO4/c1-17(19-8-9-21-15-22(28-2)11-10-20(21)14-19)24(27)29-16-23(26)25-13-12-18-6-4-3-5-7-18/h3-11,14-15,17H,12-13,16H2,1-2H3,(H,25,26)/t17-/m0/s1.
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 391.47 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 8951977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).