methyl 4-[[2-(2,2-diphenylacetyl)oxyacetyl]amino]butanoate

C21H23NO5 — CID 9229280

IUPACmethyl 4-[[2-(2,2-diphenylacetyl)oxyacetyl]amino]butanoate
SMILESCOC(=O)CCCNC(=O)COC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO5/c1-26-19(24)13-8-14-22-18(23)15-27-21(25)20(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,20H,8,13-15H2,1H3,(H,22,23)
InChIKeyRXFAPCWJRXGBPU-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.43
Rot. Bonds9

About methyl 4-[[2-(2,2-diphenylacetyl)oxyacetyl]amino]butanoate

methyl 4-[[2-(2,2-diphenylacetyl)oxyacetyl]amino]butanoate (PubChem CID 9229280) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is methyl 4-[[2-(2,2-diphenylacetyl)oxyacetyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[2-(2,2-diphenylacetyl)oxyacetyl]amino]butanoate
PubChem CID9229280
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Namemethyl 4-[[2-(2,2-diphenylacetyl)oxyacetyl]amino]butanoate
SMILESCOC(=O)CCCNC(=O)COC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO5/c1-26-19(24)13-8-14-22-18(23)15-27-21(25)20(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,20H,8,13-15H2,1H3,(H,22,23)
InChIKeyRXFAPCWJRXGBPU-UHFFFAOYSA-N
XLogP2.43
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate
CID 63324390
[2-(2-methylpropylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 2520789
[2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 8841100
[2-oxo-2-(propan-2-ylamino)ethyl] 2,2-diphenylacetate
CID 2520764
methyl 4-[[2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]butanoate
CID 8641186
[2-(cyclopropylmethylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 30535045
methyl 4-[(2-anilinoacetyl)amino]butanoate
CID 60671224
methyl 6-(2-phenylpropanoylamino)hexanoate
CID 104916813
methyl 4-benzamidobutanoate
CID 13197711
methyl 7-amino-7-phenylheptanoate
CID 139616773
methyl 5,5-diphenylpentanoate
CID 10923549
methyl 6-[(3-amino-2-methyl-3-phenylpropanoyl)amino]hexanoate
CID 119686216

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2,2-diphenylacetyl)oxyacetyl]amino]butanoate?
The IUPAC name of methyl 4-[[2-(2,2-diphenylacetyl)oxyacetyl]amino]butanoate (CID 9229280) is methyl 4-[[2-(2,2-diphenylacetyl)oxyacetyl]amino]butanoate.
What is the SMILES notation for methyl 4-[[2-(2,2-diphenylacetyl)oxyacetyl]amino]butanoate?
The canonical SMILES for methyl 4-[[2-(2,2-diphenylacetyl)oxyacetyl]amino]butanoate is COC(=O)CCCNC(=O)COC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 4-[[2-(2,2-diphenylacetyl)oxyacetyl]amino]butanoate?
The InChIKey is RXFAPCWJRXGBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-26-19(24)13-8-14-22-18(23)15-27-21(25)20(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,20H,8,13-15H2,1H3,(H,22,23).
What are the key properties of methyl 4-[[2-(2,2-diphenylacetyl)oxyacetyl]amino]butanoate?
methyl 4-[[2-(2,2-diphenylacetyl)oxyacetyl]amino]butanoate has a molecular weight of 369.42 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2,2-diphenylacetyl)oxyacetyl]amino]butanoate is sourced from PubChem (CID 9229280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).