ethyl (2R)-4-diazenyl-2-methyl-5-(4-phenylphenyl)pentanoate

C20H24N2O2 — CID 122468486

IUPACethyl (2R)-4-diazenyl-2-methyl-5-(4-phenylphenyl)pentanoate
SMILES[H]/N=N/C(Cc1ccc(-c2ccccc2)cc1)C[C@@H](C)C(=O)OCC
InChIInChI=1S/C20H24N2O2/c1-3-24-20(23)15(2)13-19(22-21)14-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15,19,21H,3,13-14H2,1-2H3/b22-21+/t15-,19?/m1/s1
InChIKeyUTVMQSHFBLYIKW-QKTNXRQSSA-N
MW324.42 g/mol
LogP4.88
Rot. Bonds8

About ethyl (2R)-4-diazenyl-2-methyl-5-(4-phenylphenyl)pentanoate

ethyl (2R)-4-diazenyl-2-methyl-5-(4-phenylphenyl)pentanoate (PubChem CID 122468486) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is ethyl (2R)-4-diazenyl-2-methyl-5-(4-phenylphenyl)pentanoate.

Molecular Properties

Compound Nameethyl (2R)-4-diazenyl-2-methyl-5-(4-phenylphenyl)pentanoate
PubChem CID122468486
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Nameethyl (2R)-4-diazenyl-2-methyl-5-(4-phenylphenyl)pentanoate
SMILES[H]/N=N/C(Cc1ccc(-c2ccccc2)cc1)C[C@@H](C)C(=O)OCC
InChIInChI=1S/C20H24N2O2/c1-3-24-20(23)15(2)13-19(22-21)14-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15,19,21H,3,13-14H2,1-2H3/b22-21+/t15-,19?/m1/s1
InChIKeyUTVMQSHFBLYIKW-QKTNXRQSSA-N
XLogP4.88
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl (2R,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate
CID 11722991
ethyl (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride
CID 127255946
ethyl (2R,4S)-4-benzamido-2-methyl-5-(4-phenylphenyl)pentanoate
CID 141281932
4-[[(2S,4S)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid
CID 122172973
sodium 4-[[5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoate
CID 74088781
ethyl (2R,4S)-4-(4,4-dihydroxybutanoylamino)-2-methyl-5-(4-phenylphenyl)pentanoate
CID 138720356
2,2,3,3-tetradeuterio-4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid
CID 129010205
ethyl 2-[(4-phenylphenyl)methoxy]propanoate
CID 58354424
ethyl (2R,4S)-4-[(5-hydroxy-4-oxopyran-2-carbonyl)amino]-2-methyl-5-(4-phenylphenyl)pentanoate
CID 59608212
(2S)-2-[[4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoyl]amino]-4-methylpentanoic acid
CID 139368435
ethyl (2R,4S)-4-[(6-methoxy-6-oxohexanoyl)amino]-2-methyl-5-(4-phenylphenyl)pentanoate
CID 57204865
ethyl (2R,4S)-4-[(2-methoxy-1,3-oxazole-5-carbonyl)amino]-2-methyl-5-(4-phenylphenyl)pentanoate
CID 59608133

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-4-diazenyl-2-methyl-5-(4-phenylphenyl)pentanoate?
The IUPAC name of ethyl (2R)-4-diazenyl-2-methyl-5-(4-phenylphenyl)pentanoate (CID 122468486) is ethyl (2R)-4-diazenyl-2-methyl-5-(4-phenylphenyl)pentanoate.
What is the SMILES notation for ethyl (2R)-4-diazenyl-2-methyl-5-(4-phenylphenyl)pentanoate?
The canonical SMILES for ethyl (2R)-4-diazenyl-2-methyl-5-(4-phenylphenyl)pentanoate is [H]/N=N/C(Cc1ccc(-c2ccccc2)cc1)C[C@@H](C)C(=O)OCC.
What is the InChIKey of ethyl (2R)-4-diazenyl-2-methyl-5-(4-phenylphenyl)pentanoate?
The InChIKey is UTVMQSHFBLYIKW-QKTNXRQSSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-24-20(23)15(2)13-19(22-21)14-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15,19,21H,3,13-14H2,1-2H3/b22-21+/t15-,19?/m1/s1.
What are the key properties of ethyl (2R)-4-diazenyl-2-methyl-5-(4-phenylphenyl)pentanoate?
ethyl (2R)-4-diazenyl-2-methyl-5-(4-phenylphenyl)pentanoate has a molecular weight of 324.42 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-4-diazenyl-2-methyl-5-(4-phenylphenyl)pentanoate is sourced from PubChem (CID 122468486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).