N-butan-2-yl-N-butyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide

C17H27N3O — CID 107356117

IUPACN-butan-2-yl-N-butyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
SMILESCCCCN(C(=O)C1CNc2ccccc2N1)C(C)CC
InChIInChI=1S/C17H27N3O/c1-4-6-11-20(13(3)5-2)17(21)16-12-18-14-9-7-8-10-15(14)19-16/h7-10,13,16,18-19H,4-6,11-12H2,1-3H3
InChIKeyHCTSPPJOVGAQHH-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.32
Rot. Bonds6

About N-butan-2-yl-N-butyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide

N-butan-2-yl-N-butyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide (PubChem CID 107356117) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
PubChem CID107356117
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-butan-2-yl-N-butyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
SMILESCCCCN(C(=O)C1CNc2ccccc2N1)C(C)CC
InChIInChI=1S/C17H27N3O/c1-4-6-11-20(13(3)5-2)17(21)16-12-18-14-9-7-8-10-15(14)19-16/h7-10,13,16,18-19H,4-6,11-12H2,1-3H3
InChIKeyHCTSPPJOVGAQHH-UHFFFAOYSA-N
XLogP3.32
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The IUPAC name of N-butan-2-yl-N-butyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide (CID 107356117) is N-butan-2-yl-N-butyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-butyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The canonical SMILES for N-butan-2-yl-N-butyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide is CCCCN(C(=O)C1CNc2ccccc2N1)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The InChIKey is HCTSPPJOVGAQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-6-11-20(13(3)5-2)17(21)16-12-18-14-9-7-8-10-15(14)19-16/h7-10,13,16,18-19H,4-6,11-12H2,1-3H3.
What are the key properties of N-butan-2-yl-N-butyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
N-butan-2-yl-N-butyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide is sourced from PubChem (CID 107356117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).