2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoate

C15H28N2O7 — CID 135299262

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoate
SMILESCC(C)(C)OC(=O)NCCOC(=O)CCC(=O)NCCOCCO
InChIInChI=1S/C15H28N2O7/c1-15(2,3)24-14(21)17-7-10-23-13(20)5-4-12(19)16-6-9-22-11-8-18/h18H,4-11H2,1-3H3,(H,16,19)(H,17,21)
InChIKeyWNERBXYDOSCCNE-UHFFFAOYSA-N
MW348.40 g/mol
LogP-0.04
Rot. Bonds11

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoate

2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoate (PubChem CID 135299262) has the molecular formula C15H28N2O7 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoate.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoate
PubChem CID135299262
Molecular FormulaC15H28N2O7
Molecular Weight348.40 g/mol
Exact Mass348.19
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoate
SMILESCC(C)(C)OC(=O)NCCOC(=O)CCC(=O)NCCOCCO
InChIInChI=1S/C15H28N2O7/c1-15(2,3)24-14(21)17-7-10-23-13(20)5-4-12(19)16-6-9-22-11-8-18/h18H,4-11H2,1-3H3,(H,16,19)(H,17,21)
InChIKeyWNERBXYDOSCCNE-UHFFFAOYSA-N
XLogP-0.04
TPSA123.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 126480541
2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate
CID 138694078
tert-butyl N-[2-[2-(7-hydroxyheptanoylamino)ethoxy]ethyl]carbamate
CID 176648954
4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoic acid
CID 167337700
tert-butyl N-[2-[2-[2-(3-aminopropanoylamino)ethoxy]ethoxy]ethyl]carbamate
CID 166726831
tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
tert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate
CID 170396361
tert-butyl N-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethyl]carbamate
CID 11046862
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 131982939
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 166851289
3-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61274475

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoate?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoate (CID 135299262) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoate.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoate?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoate is CC(C)(C)OC(=O)NCCOC(=O)CCC(=O)NCCOCCO.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoate?
The InChIKey is WNERBXYDOSCCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O7/c1-15(2,3)24-14(21)17-7-10-23-13(20)5-4-12(19)16-6-9-22-11-8-18/h18H,4-11H2,1-3H3,(H,16,19)(H,17,21).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoate?
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoate has a molecular weight of 348.40 g/mol, XLogP of -0.04, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoate is sourced from PubChem (CID 135299262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).