N-(2-amino-2-oxoethyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide

C14H20N4O2 — CID 107356107

IUPACN-(2-amino-2-oxoethyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
SMILESCC(C)N(CC(N)=O)C(=O)C1CNc2ccccc2N1
InChIInChI=1S/C14H20N4O2/c1-9(2)18(8-13(15)19)14(20)12-7-16-10-5-3-4-6-11(10)17-12/h3-6,9,12,16-17H,7-8H2,1-2H3,(H2,15,19)
InChIKeyHBABAAMCTDGSTR-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.61
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide

N-(2-amino-2-oxoethyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide (PubChem CID 107356107) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
PubChem CID107356107
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-(2-amino-2-oxoethyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
SMILESCC(C)N(CC(N)=O)C(=O)C1CNc2ccccc2N1
InChIInChI=1S/C14H20N4O2/c1-9(2)18(8-13(15)19)14(20)12-7-16-10-5-3-4-6-11(10)17-12/h3-6,9,12,16-17H,7-8H2,1-2H3,(H2,15,19)
InChIKeyHBABAAMCTDGSTR-UHFFFAOYSA-N
XLogP0.61
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.61
H-Bond Donors ≤ 53
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-amino-2-oxoethyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide (CID 107356107) is N-(2-amino-2-oxoethyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide is CC(C)N(CC(N)=O)C(=O)C1CNc2ccccc2N1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
The InChIKey is HBABAAMCTDGSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9(2)18(8-13(15)19)14(20)12-7-16-10-5-3-4-6-11(10)17-12/h3-6,9,12,16-17H,7-8H2,1-2H3,(H2,15,19).
What are the key properties of N-(2-amino-2-oxoethyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide?
N-(2-amino-2-oxoethyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide is sourced from PubChem (CID 107356107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).