ethyl N-[2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-ethylamino]acetyl]carbamate

C19H26N4O5 — CID 8799774

IUPACethyl N-[2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-ethylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)CC(=O)N1c2ccccc2NC(=O)C1(C)C
InChIInChI=1S/C19H26N4O5/c1-5-22(11-15(24)21-18(27)28-6-2)12-16(25)23-14-10-8-7-9-13(14)20-17(26)19(23,3)4/h7-10H,5-6,11-12H2,1-4H3,(H,20,26)(H,21,24,27)
InChIKeyLAFJLISDWVSMAP-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.34
Rot. Bonds6

About ethyl N-[2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-ethylamino]acetyl]carbamate

ethyl N-[2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-ethylamino]acetyl]carbamate (PubChem CID 8799774) has the molecular formula C19H26N4O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is ethyl N-[2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-ethylamino]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-ethylamino]acetyl]carbamate
PubChem CID8799774
Molecular FormulaC19H26N4O5
Molecular Weight390.44 g/mol
Exact Mass390.19
IUPAC Nameethyl N-[2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-ethylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)CC(=O)N1c2ccccc2NC(=O)C1(C)C
InChIInChI=1S/C19H26N4O5/c1-5-22(11-15(24)21-18(27)28-6-2)12-16(25)23-14-10-8-7-9-13(14)20-17(26)19(23,3)4/h7-10H,5-6,11-12H2,1-4H3,(H,20,26)(H,21,24,27)
InChIKeyLAFJLISDWVSMAP-UHFFFAOYSA-N
XLogP1.34
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl N-[2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-ethylamino]acetyl]carbamate with MolForge

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Related Compounds

ethyl N-[2-[ethyl-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]amino]acetyl]carbamate
CID 8792288
4-[2-[2-hydroxyethyl(propyl)amino]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 78825683
2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9221828
4-[2-(2-ethoxyphenoxy)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 7840966
N-cyclopropyl-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide
CID 9053493
N-(4-chlorophenyl)-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide
CID 9166583
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-bromobenzoate
CID 16539809
ethyl N-[2-[[2-(dibenzylamino)-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8905436
3,3-dimethyl-4-[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-quinoxalin-2-one
CID 9392167
3,3-dimethyl-4-[2-(2,3,5,6-tetramethylphenyl)sulfanylacetyl]-1H-quinoxalin-2-one
CID 7468587
ethyl N-[2-[[2-(2-ethoxyanilino)-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8905214
2-[ethyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 46614321

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-ethylamino]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-ethylamino]acetyl]carbamate (CID 8799774) is ethyl N-[2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-ethylamino]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-ethylamino]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-ethylamino]acetyl]carbamate is CCOC(=O)NC(=O)CN(CC)CC(=O)N1c2ccccc2NC(=O)C1(C)C.
What is the InChIKey of ethyl N-[2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-ethylamino]acetyl]carbamate?
The InChIKey is LAFJLISDWVSMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O5/c1-5-22(11-15(24)21-18(27)28-6-2)12-16(25)23-14-10-8-7-9-13(14)20-17(26)19(23,3)4/h7-10H,5-6,11-12H2,1-4H3,(H,20,26)(H,21,24,27).
What are the key properties of ethyl N-[2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-ethylamino]acetyl]carbamate?
ethyl N-[2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-ethylamino]acetyl]carbamate has a molecular weight of 390.44 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-ethylamino]acetyl]carbamate is sourced from PubChem (CID 8799774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).