tert-butyl N-(4-aminocyclohexyl)-N-[2-(3-methoxyquinoxalin-5-yl)ethyl]carbamate

C22H32N4O3 — CID 68827566

IUPACtert-butyl N-(4-aminocyclohexyl)-N-[2-(3-methoxyquinoxalin-5-yl)ethyl]carbamate
SMILESCOc1cnc2cccc(CCN(C(=O)OC(C)(C)C)C3CCC(N)CC3)c2n1
InChIInChI=1S/C22H32N4O3/c1-22(2,3)29-21(27)26(17-10-8-16(23)9-11-17)13-12-15-6-5-7-18-20(15)25-19(28-4)14-24-18/h5-7,14,16-17H,8-13,23H2,1-4H3
InChIKeyHBDZMZHPDBJEHD-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.69
Rot. Bonds5

About tert-butyl N-(4-aminocyclohexyl)-N-[2-(3-methoxyquinoxalin-5-yl)ethyl]carbamate

tert-butyl N-(4-aminocyclohexyl)-N-[2-(3-methoxyquinoxalin-5-yl)ethyl]carbamate (PubChem CID 68827566) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is tert-butyl N-(4-aminocyclohexyl)-N-[2-(3-methoxyquinoxalin-5-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-aminocyclohexyl)-N-[2-(3-methoxyquinoxalin-5-yl)ethyl]carbamate
PubChem CID68827566
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Nametert-butyl N-(4-aminocyclohexyl)-N-[2-(3-methoxyquinoxalin-5-yl)ethyl]carbamate
SMILESCOc1cnc2cccc(CCN(C(=O)OC(C)(C)C)C3CCC(N)CC3)c2n1
InChIInChI=1S/C22H32N4O3/c1-22(2,3)29-21(27)26(17-10-8-16(23)9-11-17)13-12-15-6-5-7-18-20(15)25-19(28-4)14-24-18/h5-7,14,16-17H,8-13,23H2,1-4H3
InChIKeyHBDZMZHPDBJEHD-UHFFFAOYSA-N
XLogP3.69
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-aminocyclohexyl)-N-[2-(3-methoxyquinoxalin-5-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-(4-aminocyclohexyl)-N-[2-(3-methoxyquinoxalin-5-yl)ethyl]carbamate (CID 68827566) is tert-butyl N-(4-aminocyclohexyl)-N-[2-(3-methoxyquinoxalin-5-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-(4-aminocyclohexyl)-N-[2-(3-methoxyquinoxalin-5-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-(4-aminocyclohexyl)-N-[2-(3-methoxyquinoxalin-5-yl)ethyl]carbamate is COc1cnc2cccc(CCN(C(=O)OC(C)(C)C)C3CCC(N)CC3)c2n1.
What is the InChIKey of tert-butyl N-(4-aminocyclohexyl)-N-[2-(3-methoxyquinoxalin-5-yl)ethyl]carbamate?
The InChIKey is HBDZMZHPDBJEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-22(2,3)29-21(27)26(17-10-8-16(23)9-11-17)13-12-15-6-5-7-18-20(15)25-19(28-4)14-24-18/h5-7,14,16-17H,8-13,23H2,1-4H3.
What are the key properties of tert-butyl N-(4-aminocyclohexyl)-N-[2-(3-methoxyquinoxalin-5-yl)ethyl]carbamate?
tert-butyl N-(4-aminocyclohexyl)-N-[2-(3-methoxyquinoxalin-5-yl)ethyl]carbamate has a molecular weight of 400.52 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-aminocyclohexyl)-N-[2-(3-methoxyquinoxalin-5-yl)ethyl]carbamate is sourced from PubChem (CID 68827566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).