N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide

C16H25N3O2 — CID 107356101

IUPACN-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
SMILESCOCCN(CC(C)C)C(=O)C1CNc2ccccc2N1
InChIInChI=1S/C16H25N3O2/c1-12(2)11-19(8-9-21-3)16(20)15-10-17-13-6-4-5-7-14(13)18-15/h4-7,12,15,17-18H,8-11H2,1-3H3
InChIKeyDHGRGMCJLIEGBZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.02
Rot. Bonds6

About N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide

N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide (PubChem CID 107356101) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
PubChem CID107356101
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
SMILESCOCCN(CC(C)C)C(=O)C1CNc2ccccc2N1
InChIInChI=1S/C16H25N3O2/c1-12(2)11-19(8-9-21-3)16(20)15-10-17-13-6-4-5-7-14(13)18-15/h4-7,12,15,17-18H,8-11H2,1-3H3
InChIKeyDHGRGMCJLIEGBZ-UHFFFAOYSA-N
XLogP2.02
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide (CID 107356101) is N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide is COCCN(CC(C)C)C(=O)C1CNc2ccccc2N1.
What is the InChIKey of N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The InChIKey is DHGRGMCJLIEGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(2)11-19(8-9-21-3)16(20)15-10-17-13-6-4-5-7-14(13)18-15/h4-7,12,15,17-18H,8-11H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide is sourced from PubChem (CID 107356101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).