N-butan-2-yl-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

C14H21N3O — CID 104614557

IUPACN-butan-2-yl-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCCC(C)N(C)C(=O)c1ccc2c(c1)NCCN2
InChIInChI=1S/C14H21N3O/c1-4-10(2)17(3)14(18)11-5-6-12-13(9-11)16-8-7-15-12/h5-6,9-10,15-16H,4,7-8H2,1-3H3
InChIKeyBEHFDXZFYGQDTG-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.39
Rot. Bonds3

About N-butan-2-yl-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

N-butan-2-yl-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (PubChem CID 104614557) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
PubChem CID104614557
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-butan-2-yl-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCCC(C)N(C)C(=O)c1ccc2c(c1)NCCN2
InChIInChI=1S/C14H21N3O/c1-4-10(2)17(3)14(18)11-5-6-12-13(9-11)16-8-7-15-12/h5-6,9-10,15-16H,4,7-8H2,1-3H3
InChIKeyBEHFDXZFYGQDTG-UHFFFAOYSA-N
XLogP2.39
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614582
N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 113426014
N-butan-2-yl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 121451464
N-butan-2-yl-4-hydroxy-N-methylbenzamide
CID 43273177
N-[1-(ethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614761
4-amino-N-butan-2-yl-N-methylbenzamide
CID 43272431
N-methyl-N-(1-methylsulfanylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 112659261
3-amino-4-bromo-N-butan-2-yl-N-methylbenzamide
CID 61093398
N-[2-oxo-2-(propylamino)ethyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614609
1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 69495489
N-methyl-2-oxo-N-pentan-2-yl-1,3-dihydroindole-6-carboxamide
CID 102711803
3-bromo-N-butan-2-yl-4-methoxy-N-methylbenzamide
CID 61025993

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The IUPAC name of N-butan-2-yl-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (CID 104614557) is N-butan-2-yl-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The canonical SMILES for N-butan-2-yl-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is CCC(C)N(C)C(=O)c1ccc2c(c1)NCCN2.
What is the InChIKey of N-butan-2-yl-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The InChIKey is BEHFDXZFYGQDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-10(2)17(3)14(18)11-5-6-12-13(9-11)16-8-7-15-12/h5-6,9-10,15-16H,4,7-8H2,1-3H3.
What are the key properties of N-butan-2-yl-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
N-butan-2-yl-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.39, 3 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-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is sourced from PubChem (CID 104614557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).