tert-butyl N-[2-[2-[2-[[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-ethylamino]ethoxy]ethoxy]ethoxy]carbamate

C23H49N3O6 — CID 145317544

IUPACtert-butyl N-[2-[2-[2-[[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-ethylamino]ethoxy]ethoxy]ethoxy]carbamate
SMILESCCN(CCOCCOCCONC(=O)OC(C)(C)C)CCC(C)(C)OCCC(C)(C)N
InChIInChI=1S/C23H49N3O6/c1-9-26(12-10-23(7,8)30-14-11-22(5,6)24)13-15-28-16-17-29-18-19-31-25-20(27)32-21(2,3)4/h9-19,24H2,1-8H3,(H,25,27)
InChIKeyMSINIKGMFUAJMK-UHFFFAOYSA-N
MW463.66 g/mol
LogP3.11
Rot. Bonds18

About tert-butyl N-[2-[2-[2-[[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-ethylamino]ethoxy]ethoxy]ethoxy]carbamate

tert-butyl N-[2-[2-[2-[[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-ethylamino]ethoxy]ethoxy]ethoxy]carbamate (PubChem CID 145317544) has the molecular formula C23H49N3O6 and a molecular weight of 463.66 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-[[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-ethylamino]ethoxy]ethoxy]ethoxy]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[2-[[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-ethylamino]ethoxy]ethoxy]ethoxy]carbamate
PubChem CID145317544
Molecular FormulaC23H49N3O6
Molecular Weight463.66 g/mol
Exact Mass463.36
IUPAC Nametert-butyl N-[2-[2-[2-[[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-ethylamino]ethoxy]ethoxy]ethoxy]carbamate
SMILESCCN(CCOCCOCCONC(=O)OC(C)(C)C)CCC(C)(C)OCCC(C)(C)N
InChIInChI=1S/C23H49N3O6/c1-9-26(12-10-23(7,8)30-14-11-22(5,6)24)13-15-28-16-17-29-18-19-31-25-20(27)32-21(2,3)4/h9-19,24H2,1-8H3,(H,25,27)
InChIKeyMSINIKGMFUAJMK-UHFFFAOYSA-N
XLogP3.11
TPSA104.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.66
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[2-[2-[bis[3-(3-amino-3-methylbutoxy)-3-methylbutyl]amino]-2-oxoethoxy]ethoxy]ethoxy]carbamate;ethane
CID 145317467
tert-butyl N-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]carbamate
CID 59981200
tert-butyl N-[2-[2-(2-iodosulfanyloxyethoxy)ethoxy]ethoxy]carbamate;ethane
CID 177228817
tert-butyl 3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]propanoate
CID 91757752
tert-butyl N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]carbamate
CID 134827749
tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]carbamate
CID 91809469
tert-butyl N-(2-aminoethoxy)carbamate;hydrochloride
CID 135285194
2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethyl 2-bromo-2-methylpropanoate
CID 86659550
tert-butyl N-[4-[[4-(3-methoxy-3-methylbutoxy)-4-methylpentanoyl]amino]butoxy]carbamate
CID 142997826
2-methylbutan-2-yl 4-(3-amino-3-methylbutoxy)-4-methylpentanoate
CID 167070130
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-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate
CID 59658355

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-[[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-ethylamino]ethoxy]ethoxy]ethoxy]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[2-[[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-ethylamino]ethoxy]ethoxy]ethoxy]carbamate (CID 145317544) is tert-butyl N-[2-[2-[2-[[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-ethylamino]ethoxy]ethoxy]ethoxy]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[2-[[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-ethylamino]ethoxy]ethoxy]ethoxy]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[2-[[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-ethylamino]ethoxy]ethoxy]ethoxy]carbamate is CCN(CCOCCOCCONC(=O)OC(C)(C)C)CCC(C)(C)OCCC(C)(C)N.
What is the InChIKey of tert-butyl N-[2-[2-[2-[[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-ethylamino]ethoxy]ethoxy]ethoxy]carbamate?
The InChIKey is MSINIKGMFUAJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49N3O6/c1-9-26(12-10-23(7,8)30-14-11-22(5,6)24)13-15-28-16-17-29-18-19-31-25-20(27)32-21(2,3)4/h9-19,24H2,1-8H3,(H,25,27).
What are the key properties of tert-butyl N-[2-[2-[2-[[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-ethylamino]ethoxy]ethoxy]ethoxy]carbamate?
tert-butyl N-[2-[2-[2-[[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-ethylamino]ethoxy]ethoxy]ethoxy]carbamate has a molecular weight of 463.66 g/mol, XLogP of 3.11, 18 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[2-[[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-ethylamino]ethoxy]ethoxy]ethoxy]carbamate is sourced from PubChem (CID 145317544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).