tert-butyl N-[hexyl(quinoxalin-2-yl)amino]carbamate

C19H28N4O2 — CID 155747432

IUPACtert-butyl N-[hexyl(quinoxalin-2-yl)amino]carbamate
SMILESCCCCCCN(NC(=O)OC(C)(C)C)c1cnc2ccccc2n1
InChIInChI=1S/C19H28N4O2/c1-5-6-7-10-13-23(22-18(24)25-19(2,3)4)17-14-20-15-11-8-9-12-16(15)21-17/h8-9,11-12,14H,5-7,10,13H2,1-4H3,(H,22,24)
InChIKeyIJIIWBFGSRTPPB-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.46
Rot. Bonds7

About tert-butyl N-[hexyl(quinoxalin-2-yl)amino]carbamate

tert-butyl N-[hexyl(quinoxalin-2-yl)amino]carbamate (PubChem CID 155747432) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is tert-butyl N-[hexyl(quinoxalin-2-yl)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[hexyl(quinoxalin-2-yl)amino]carbamate
PubChem CID155747432
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Nametert-butyl N-[hexyl(quinoxalin-2-yl)amino]carbamate
SMILESCCCCCCN(NC(=O)OC(C)(C)C)c1cnc2ccccc2n1
InChIInChI=1S/C19H28N4O2/c1-5-6-7-10-13-23(22-18(24)25-19(2,3)4)17-14-20-15-11-8-9-12-16(15)21-17/h8-9,11-12,14H,5-7,10,13H2,1-4H3,(H,22,24)
InChIKeyIJIIWBFGSRTPPB-UHFFFAOYSA-N
XLogP4.46
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-butylimidazo[4,5-c]quinolin-1-yl)carbamate
CID 21075818
tert-butyl N-[(5-bromo-2-cyanopyrimidin-4-yl)-butylamino]carbamate
CID 46915373
tert-butyl N-[6-[formyl(pentyl)amino]-3-pyridinyl]carbamate
CID 123908026
2-[ethyl(quinoxalin-2-yl)amino]acetic acid
CID 55064040
tert-butyl N-(6-hexyl-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
CID 15457951
tert-butyl N-hexyl-N-phenylcarbamate
CID 135064745
tert-butyl N-octadecyl-N-phenylcarbamate
CID 174455229
1-quinoxalin-2-ylhexan-1-one
CID 102319889
tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate
CID 71632141
4-[methyl(quinoxalin-2-yl)amino]butanoic acid
CID 62361159
tert-butyl N-[6-(dipropylamino)-3-pyridinyl]carbamate
CID 113015728
tert-butyl N-[[2-(heptylamino)phenyl]methyl]carbamate
CID 107247253

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[hexyl(quinoxalin-2-yl)amino]carbamate?
The IUPAC name of tert-butyl N-[hexyl(quinoxalin-2-yl)amino]carbamate (CID 155747432) is tert-butyl N-[hexyl(quinoxalin-2-yl)amino]carbamate.
What is the SMILES notation for tert-butyl N-[hexyl(quinoxalin-2-yl)amino]carbamate?
The canonical SMILES for tert-butyl N-[hexyl(quinoxalin-2-yl)amino]carbamate is CCCCCCN(NC(=O)OC(C)(C)C)c1cnc2ccccc2n1.
What is the InChIKey of tert-butyl N-[hexyl(quinoxalin-2-yl)amino]carbamate?
The InChIKey is IJIIWBFGSRTPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-5-6-7-10-13-23(22-18(24)25-19(2,3)4)17-14-20-15-11-8-9-12-16(15)21-17/h8-9,11-12,14H,5-7,10,13H2,1-4H3,(H,22,24).
What are the key properties of tert-butyl N-[hexyl(quinoxalin-2-yl)amino]carbamate?
tert-butyl N-[hexyl(quinoxalin-2-yl)amino]carbamate has a molecular weight of 344.46 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[hexyl(quinoxalin-2-yl)amino]carbamate is sourced from PubChem (CID 155747432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).