N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

C15H23N3O2 — CID 104615108

IUPACN-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESCOCC(NC(=O)c1cccc2c1NCCN2)C(C)C
InChIInChI=1S/C15H23N3O2/c1-10(2)13(9-20-3)18-15(19)11-5-4-6-12-14(11)17-8-7-16-12/h4-6,10,13,16-17H,7-9H2,1-3H3,(H,18,19)
InChIKeyZTCJRQNUQTYKMD-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.92
Rot. Bonds5

About N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide

N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (PubChem CID 104615108) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
PubChem CID104615108
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
SMILESCOCC(NC(=O)c1cccc2c1NCCN2)C(C)C
InChIInChI=1S/C15H23N3O2/c1-10(2)13(9-20-3)18-15(19)11-5-4-6-12-14(11)17-8-7-16-12/h4-6,10,13,16-17H,7-9H2,1-3H3,(H,18,19)
InChIKeyZTCJRQNUQTYKMD-UHFFFAOYSA-N
XLogP1.92
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide (CID 104615108) is N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is COCC(NC(=O)c1cccc2c1NCCN2)C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
The InChIKey is ZTCJRQNUQTYKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(2)13(9-20-3)18-15(19)11-5-4-6-12-14(11)17-8-7-16-12/h4-6,10,13,16-17H,7-9H2,1-3H3,(H,18,19).
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide?
N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide is sourced from PubChem (CID 104615108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).