tert-butyl N-[2-[2-[bis[2-(2-prop-2-ynoxyethoxy)ethyl]amino]ethoxy]ethyl]carbamate

C23H40N2O7 — CID 126480429

IUPACtert-butyl N-[2-[2-[bis[2-(2-prop-2-ynoxyethoxy)ethyl]amino]ethoxy]ethyl]carbamate
SMILESC#CCOCCOCCN(CCOCCNC(=O)OC(C)(C)C)CCOCCOCC#C
InChIInChI=1S/C23H40N2O7/c1-6-12-27-18-20-30-16-10-25(11-17-31-21-19-28-13-7-2)9-15-29-14-8-24-22(26)32-23(3,4)5/h1-2H,8-21H2,3-5H3,(H,24,26)
InChIKeyMGRYPZQWMHNWAP-UHFFFAOYSA-N
MW456.58 g/mol
LogP1.16
Rot. Bonds20

About tert-butyl N-[2-[2-[bis[2-(2-prop-2-ynoxyethoxy)ethyl]amino]ethoxy]ethyl]carbamate

tert-butyl N-[2-[2-[bis[2-(2-prop-2-ynoxyethoxy)ethyl]amino]ethoxy]ethyl]carbamate (PubChem CID 126480429) has the molecular formula C23H40N2O7 and a molecular weight of 456.58 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[bis[2-(2-prop-2-ynoxyethoxy)ethyl]amino]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[bis[2-(2-prop-2-ynoxyethoxy)ethyl]amino]ethoxy]ethyl]carbamate
PubChem CID126480429
Molecular FormulaC23H40N2O7
Molecular Weight456.58 g/mol
Exact Mass456.28
IUPAC Nametert-butyl N-[2-[2-[bis[2-(2-prop-2-ynoxyethoxy)ethyl]amino]ethoxy]ethyl]carbamate
SMILESC#CCOCCOCCN(CCOCCNC(=O)OC(C)(C)C)CCOCCOCC#C
InChIInChI=1S/C23H40N2O7/c1-6-12-27-18-20-30-16-10-25(11-17-31-21-19-28-13-7-2)9-15-29-14-8-24-22(26)32-23(3,4)5/h1-2H,8-21H2,3-5H3,(H,24,26)
InChIKeyMGRYPZQWMHNWAP-UHFFFAOYSA-N
XLogP1.16
TPSA87.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.58
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[2-[2-propoxyethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]ethyl]carbamate
CID 157489844
2-[carboxymethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]amino]acetic acid
CID 152544554
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-[2-[2-(2-but-3-ynoxyethoxy)ethoxy]ethyl]carbamate
CID 146336566
tert-butyl N-[2-[2-[2-[3-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl]-4-oxo-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170422260
tert-butyl N-[2-[2-(prop-2-ynylamino)ethoxy]ethyl]carbamate
CID 163403842
2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 11660330
ethane;2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid
CID 142814707
tert-butyl N-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethyl]carbamate
CID 11046862
tert-butyl N-[3-[4-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]propyl]carbamate
CID 176953652
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097
N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]acetamide
CID 169450266

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[bis[2-(2-prop-2-ynoxyethoxy)ethyl]amino]ethoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[bis[2-(2-prop-2-ynoxyethoxy)ethyl]amino]ethoxy]ethyl]carbamate (CID 126480429) is tert-butyl N-[2-[2-[bis[2-(2-prop-2-ynoxyethoxy)ethyl]amino]ethoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[bis[2-(2-prop-2-ynoxyethoxy)ethyl]amino]ethoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[bis[2-(2-prop-2-ynoxyethoxy)ethyl]amino]ethoxy]ethyl]carbamate is C#CCOCCOCCN(CCOCCNC(=O)OC(C)(C)C)CCOCCOCC#C.
What is the InChIKey of tert-butyl N-[2-[2-[bis[2-(2-prop-2-ynoxyethoxy)ethyl]amino]ethoxy]ethyl]carbamate?
The InChIKey is MGRYPZQWMHNWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O7/c1-6-12-27-18-20-30-16-10-25(11-17-31-21-19-28-13-7-2)9-15-29-14-8-24-22(26)32-23(3,4)5/h1-2H,8-21H2,3-5H3,(H,24,26).
What are the key properties of tert-butyl N-[2-[2-[bis[2-(2-prop-2-ynoxyethoxy)ethyl]amino]ethoxy]ethyl]carbamate?
tert-butyl N-[2-[2-[bis[2-(2-prop-2-ynoxyethoxy)ethyl]amino]ethoxy]ethyl]carbamate has a molecular weight of 456.58 g/mol, XLogP of 1.16, 20 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[bis[2-(2-prop-2-ynoxyethoxy)ethyl]amino]ethoxy]ethyl]carbamate is sourced from PubChem (CID 126480429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).