N-methyl-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide

C16H25N3O — CID 107356114

IUPACN-methyl-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
SMILESCC(C)CC(C)N(C)C(=O)C1CNc2ccccc2N1
InChIInChI=1S/C16H25N3O/c1-11(2)9-12(3)19(4)16(20)15-10-17-13-7-5-6-8-14(13)18-15/h5-8,11-12,15,17-18H,9-10H2,1-4H3
InChIKeyXWPVIWHBMFXLAU-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.79
Rot. Bonds4

About N-methyl-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide

N-methyl-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide (PubChem CID 107356114) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-methyl-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
PubChem CID107356114
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-methyl-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
SMILESCC(C)CC(C)N(C)C(=O)C1CNc2ccccc2N1
InChIInChI=1S/C16H25N3O/c1-11(2)9-12(3)19(4)16(20)15-10-17-13-7-5-6-8-14(13)18-15/h5-8,11-12,15,17-18H,9-10H2,1-4H3
InChIKeyXWPVIWHBMFXLAU-UHFFFAOYSA-N
XLogP2.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.79
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-methyl-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The IUPAC name of N-methyl-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide (CID 107356114) is N-methyl-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide.
What is the SMILES notation for N-methyl-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The canonical SMILES for N-methyl-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide is CC(C)CC(C)N(C)C(=O)C1CNc2ccccc2N1.
What is the InChIKey of N-methyl-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The InChIKey is XWPVIWHBMFXLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11(2)9-12(3)19(4)16(20)15-10-17-13-7-5-6-8-14(13)18-15/h5-8,11-12,15,17-18H,9-10H2,1-4H3.
What are the key properties of N-methyl-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
N-methyl-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide is sourced from PubChem (CID 107356114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).