N-cyclopropyl-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide

C18H24N4O3 — CID 9053493

IUPACN-cyclopropyl-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)NC1CC1)CC(=O)N1c2ccccc2NC(=O)C1(C)C
InChIInChI=1S/C18H24N4O3/c1-18(2)17(25)20-13-6-4-5-7-14(13)22(18)16(24)11-21(3)10-15(23)19-12-8-9-12/h4-7,12H,8-11H2,1-3H3,(H,19,23)(H,20,25)
InChIKeyVMDDVBAQNCHRKT-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.96
Rot. Bonds5

About N-cyclopropyl-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide

N-cyclopropyl-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide (PubChem CID 9053493) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide
PubChem CID9053493
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-cyclopropyl-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)NC1CC1)CC(=O)N1c2ccccc2NC(=O)C1(C)C
InChIInChI=1S/C18H24N4O3/c1-18(2)17(25)20-13-6-4-5-7-14(13)22(18)16(24)11-21(3)10-15(23)19-12-8-9-12/h4-7,12H,8-11H2,1-3H3,(H,19,23)(H,20,25)
InChIKeyVMDDVBAQNCHRKT-UHFFFAOYSA-N
XLogP0.96
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide (CID 9053493) is N-cyclopropyl-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide is CN(CC(=O)NC1CC1)CC(=O)N1c2ccccc2NC(=O)C1(C)C.
What is the InChIKey of N-cyclopropyl-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is VMDDVBAQNCHRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-18(2)17(25)20-13-6-4-5-7-14(13)22(18)16(24)11-21(3)10-15(23)19-12-8-9-12/h4-7,12H,8-11H2,1-3H3,(H,19,23)(H,20,25).
What are the key properties of N-cyclopropyl-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide?
N-cyclopropyl-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 344.42 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 9053493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).