2-(phenylcarbamoyloxy)ethyl 4-[2-(2-phenylacetyl)oxyethoxycarbonylamino]butanoate

C24H28N2O8 — CID 158664121

IUPAC2-(phenylcarbamoyloxy)ethyl 4-[2-(2-phenylacetyl)oxyethoxycarbonylamino]butanoate
SMILESO=C(CCCNC(=O)OCCOC(=O)Cc1ccccc1)OCCOC(=O)Nc1ccccc1
InChIInChI=1S/C24H28N2O8/c27-21(31-14-17-34-24(30)26-20-10-5-2-6-11-20)12-7-13-25-23(29)33-16-15-32-22(28)18-19-8-3-1-4-9-19/h1-6,8-11H,7,12-18H2,(H,25,29)(H,26,30)
InChIKeyIIBOWPMCDAIKHI-UHFFFAOYSA-N
MW472.49 g/mol
LogP3.07
Rot. Bonds13

About 2-(phenylcarbamoyloxy)ethyl 4-[2-(2-phenylacetyl)oxyethoxycarbonylamino]butanoate

2-(phenylcarbamoyloxy)ethyl 4-[2-(2-phenylacetyl)oxyethoxycarbonylamino]butanoate (PubChem CID 158664121) has the molecular formula C24H28N2O8 and a molecular weight of 472.49 g/mol. Its IUPAC name is 2-(phenylcarbamoyloxy)ethyl 4-[2-(2-phenylacetyl)oxyethoxycarbonylamino]butanoate.

Molecular Properties

Compound Name2-(phenylcarbamoyloxy)ethyl 4-[2-(2-phenylacetyl)oxyethoxycarbonylamino]butanoate
PubChem CID158664121
Molecular FormulaC24H28N2O8
Molecular Weight472.49 g/mol
Exact Mass472.18
IUPAC Name2-(phenylcarbamoyloxy)ethyl 4-[2-(2-phenylacetyl)oxyethoxycarbonylamino]butanoate
SMILESO=C(CCCNC(=O)OCCOC(=O)Cc1ccccc1)OCCOC(=O)Nc1ccccc1
InChIInChI=1S/C24H28N2O8/c27-21(31-14-17-34-24(30)26-20-10-5-2-6-11-20)12-7-13-25-23(29)33-16-15-32-22(28)18-19-8-3-1-4-9-19/h1-6,8-11H,7,12-18H2,(H,25,29)(H,26,30)
InChIKeyIIBOWPMCDAIKHI-UHFFFAOYSA-N
XLogP3.07
TPSA129.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.49
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(phenylcarbamoyloxy)ethyl 3-methyl-4-[2-(2-phenylacetyl)oxyethoxycarbonylamino]butanoate
CID 158664122
2-phenylethyl 4-(ethoxycarbonylamino)butanoate
CID 155528257
2-[2-(3-sulfanylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 88978473
butyl 4-(phenylmethoxycarbonylamino)butanoate
CID 102295168
3-(3-phenylpropanoyloxy)propyl 8-[3-(benzylcarbamoyloxy)propoxycarbonylamino]octanoate
CID 161255572
2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 4644419
2-phenylethyl N-(4-phenylbutyl)carbamate
CID 23058488
methyl 13-(phenylcarbamoyloxy)tridecanoate
CID 4152739
2-acetamidoethyl 2-phenylacetate
CID 139889118
bis(3-phenylpropyl) hexanedioate
CID 59854363
3-phenylpropyl 4-oxo-4-[3-[[4-oxo-4-(3-phenylpropoxy)butanoyl]amino]propylamino]butanoate
CID 4935321
2-methoxyethyl 3-(phenylcarbamoylamino)propanoate
CID 42242981

Frequently Asked Questions

What is the IUPAC name of 2-(phenylcarbamoyloxy)ethyl 4-[2-(2-phenylacetyl)oxyethoxycarbonylamino]butanoate?
The IUPAC name of 2-(phenylcarbamoyloxy)ethyl 4-[2-(2-phenylacetyl)oxyethoxycarbonylamino]butanoate (CID 158664121) is 2-(phenylcarbamoyloxy)ethyl 4-[2-(2-phenylacetyl)oxyethoxycarbonylamino]butanoate.
What is the SMILES notation for 2-(phenylcarbamoyloxy)ethyl 4-[2-(2-phenylacetyl)oxyethoxycarbonylamino]butanoate?
The canonical SMILES for 2-(phenylcarbamoyloxy)ethyl 4-[2-(2-phenylacetyl)oxyethoxycarbonylamino]butanoate is O=C(CCCNC(=O)OCCOC(=O)Cc1ccccc1)OCCOC(=O)Nc1ccccc1.
What is the InChIKey of 2-(phenylcarbamoyloxy)ethyl 4-[2-(2-phenylacetyl)oxyethoxycarbonylamino]butanoate?
The InChIKey is IIBOWPMCDAIKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O8/c27-21(31-14-17-34-24(30)26-20-10-5-2-6-11-20)12-7-13-25-23(29)33-16-15-32-22(28)18-19-8-3-1-4-9-19/h1-6,8-11H,7,12-18H2,(H,25,29)(H,26,30).
What are the key properties of 2-(phenylcarbamoyloxy)ethyl 4-[2-(2-phenylacetyl)oxyethoxycarbonylamino]butanoate?
2-(phenylcarbamoyloxy)ethyl 4-[2-(2-phenylacetyl)oxyethoxycarbonylamino]butanoate has a molecular weight of 472.49 g/mol, XLogP of 3.07, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylcarbamoyloxy)ethyl 4-[2-(2-phenylacetyl)oxyethoxycarbonylamino]butanoate is sourced from PubChem (CID 158664121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).