[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(2,4-dichlorophenoxy)butanoate

C22H25Cl2NO4 — CID 25365035

IUPAC[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(2,4-dichlorophenoxy)butanoate
SMILESC[C@H](CCc1ccccc1)NC(=O)COC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H25Cl2NO4/c1-16(9-10-17-6-3-2-4-7-17)25-21(26)15-29-22(27)8-5-13-28-20-12-11-18(23)14-19(20)24/h2-4,6-7,11-12,14,16H,5,8-10,13,15H2,1H3,(H,25,26)/t16-/m1/s1
InChIKeyWXPAEWSWQBDSDT-MRXNPFEDSA-N
MW438.35 g/mol
LogP4.83
Rot. Bonds11

About [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(2,4-dichlorophenoxy)butanoate

[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(2,4-dichlorophenoxy)butanoate (PubChem CID 25365035) has the molecular formula C22H25Cl2NO4 and a molecular weight of 438.35 g/mol. Its IUPAC name is [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(2,4-dichlorophenoxy)butanoate.

Molecular Properties

Compound Name[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(2,4-dichlorophenoxy)butanoate
PubChem CID25365035
Molecular FormulaC22H25Cl2NO4
Molecular Weight438.35 g/mol
Exact Mass437.12
IUPAC Name[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(2,4-dichlorophenoxy)butanoate
SMILESC[C@H](CCc1ccccc1)NC(=O)COC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H25Cl2NO4/c1-16(9-10-17-6-3-2-4-7-17)25-21(26)15-29-22(27)8-5-13-28-20-12-11-18(23)14-19(20)24/h2-4,6-7,11-12,14,16H,5,8-10,13,15H2,1H3,(H,25,26)/t16-/m1/s1
InChIKeyWXPAEWSWQBDSDT-MRXNPFEDSA-N
XLogP4.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.35
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(2,4-dichlorophenoxy)butanoate with MolForge

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 4217698
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(4-acetylphenoxy)butanoate
CID 7196448
2-phenylethyl 4-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-4-oxobutanoate
CID 4946981
2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7167774
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2621932
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7506039
(2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7506041
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 4-chlorobenzoate
CID 2365167
4-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)butanamide
CID 2841932
4-(2,4-dichlorophenoxy)-N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]propyl]butanamide
CID 3619651
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 40629225
[2-(4-methoxyanilino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 2357919

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(2,4-dichlorophenoxy)butanoate?
The IUPAC name of [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(2,4-dichlorophenoxy)butanoate (CID 25365035) is [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(2,4-dichlorophenoxy)butanoate.
What is the SMILES notation for [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(2,4-dichlorophenoxy)butanoate?
The canonical SMILES for [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(2,4-dichlorophenoxy)butanoate is C[C@H](CCc1ccccc1)NC(=O)COC(=O)CCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(2,4-dichlorophenoxy)butanoate?
The InChIKey is WXPAEWSWQBDSDT-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25Cl2NO4/c1-16(9-10-17-6-3-2-4-7-17)25-21(26)15-29-22(27)8-5-13-28-20-12-11-18(23)14-19(20)24/h2-4,6-7,11-12,14,16H,5,8-10,13,15H2,1H3,(H,25,26)/t16-/m1/s1.
What are the key properties of [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(2,4-dichlorophenoxy)butanoate?
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(2,4-dichlorophenoxy)butanoate has a molecular weight of 438.35 g/mol, XLogP of 4.83, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(2,4-dichlorophenoxy)butanoate is sourced from PubChem (CID 25365035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).