N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

C15H22N4O2 — CID 104614789

IUPACN-[2-(methylamino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCCCN(CC(=O)NC)C(=O)c1ccc2c(c1)NCCN2
InChIInChI=1S/C15H22N4O2/c1-3-8-19(10-14(20)16-2)15(21)11-4-5-12-13(9-11)18-7-6-17-12/h4-5,9,17-18H,3,6-8,10H2,1-2H3,(H,16,20)
InChIKeyOOCIZXDUIIITBO-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.12
Rot. Bonds5

About N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (PubChem CID 104614789) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
PubChem CID104614789
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[2-(methylamino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESCCCN(CC(=O)NC)C(=O)c1ccc2c(c1)NCCN2
InChIInChI=1S/C15H22N4O2/c1-3-8-19(10-14(20)16-2)15(21)11-4-5-12-13(9-11)18-7-6-17-12/h4-5,9,17-18H,3,6-8,10H2,1-2H3,(H,16,20)
InChIKeyOOCIZXDUIIITBO-UHFFFAOYSA-N
XLogP1.12
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-iodo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 103735187
3-bromo-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 61040728
3-(chloromethyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 54916209
3-(N'-hydroxycarbamimidoyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 76910215
N-butan-2-yl-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614557
N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide
CID 61041491
4-amino-3,5-dichloro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 82833354
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60936689
N-(2-amino-2-oxoethyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614582
N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558264
6-bromo-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 66463493
N-[2-oxo-2-(propylamino)ethyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614609

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The IUPAC name of N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (CID 104614789) is N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The canonical SMILES for N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is CCCN(CC(=O)NC)C(=O)c1ccc2c(c1)NCCN2.
What is the InChIKey of N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The InChIKey is OOCIZXDUIIITBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-3-8-19(10-14(20)16-2)15(21)11-4-5-12-13(9-11)18-7-6-17-12/h4-5,9,17-18H,3,6-8,10H2,1-2H3,(H,16,20).
What are the key properties of N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is sourced from PubChem (CID 104614789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).