2-(2-methoxyethoxy)ethyl N-[1-[(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]oxazolo[5,4-c]azonin-8-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate

C20H30N4O8 — CID 138730423

IUPAC2-(2-methoxyethoxy)ethyl N-[1-[(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]oxazolo[5,4-c]azonin-8-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCOCCOCCOC(=O)NC(C(=O)NC1CCc2ncoc2CNC(=O)C1=O)C(C)C
InChIInChI=1S/C20H30N4O8/c1-12(2)16(24-20(28)31-9-8-30-7-6-29-3)18(26)23-14-5-4-13-15(32-11-22-13)10-21-19(27)17(14)25/h11-12,14,16H,4-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,28)
InChIKeyUBZAEEQUNNCZOG-UHFFFAOYSA-N
MW454.48 g/mol
LogP-0.30
Rot. Bonds10

About 2-(2-methoxyethoxy)ethyl N-[1-[(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]oxazolo[5,4-c]azonin-8-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate

2-(2-methoxyethoxy)ethyl N-[1-[(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]oxazolo[5,4-c]azonin-8-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 138730423) has the molecular formula C20H30N4O8 and a molecular weight of 454.48 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl N-[1-[(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]oxazolo[5,4-c]azonin-8-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl N-[1-[(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]oxazolo[5,4-c]azonin-8-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID138730423
Molecular FormulaC20H30N4O8
Molecular Weight454.48 g/mol
Exact Mass454.21
IUPAC Name2-(2-methoxyethoxy)ethyl N-[1-[(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]oxazolo[5,4-c]azonin-8-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCOCCOCCOC(=O)NC(C(=O)NC1CCc2ncoc2CNC(=O)C1=O)C(C)C
InChIInChI=1S/C20H30N4O8/c1-12(2)16(24-20(28)31-9-8-30-7-6-29-3)18(26)23-14-5-4-13-15(32-11-22-13)10-21-19(27)17(14)25/h11-12,14,16H,4-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,28)
InChIKeyUBZAEEQUNNCZOG-UHFFFAOYSA-N
XLogP-0.30
TPSA158.09 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-(2-methoxyethoxy)ethyl N-[1-[(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]oxazolo[5,4-c]azonin-8-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate with MolForge

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Related Compounds

2-(2-methoxyethoxy)ethyl N-[1-[(7,8-dioxo-5,6,9,10-tetrahydro-4H-[1,3]oxazolo[4,5-d]azonin-9-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 138730940
2-(2-methoxyethoxy)ethyl N-[1-[(7,8-dioxo-6,9,10,11-tetrahydro-5H-pyrazino[2,3-c]azonin-9-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 138731031
2-(2-methoxyethoxy)ethyl N-[1-[(7,8-dioxo-5,6,9,10-tetrahydro-4H-[1,3]oxazolo[5,4-d]azonin-9-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 138731464
2-(2-methoxyethoxy)ethyl N-[1-[(4,5-dioxo-3,12-diazabicyclo[6.3.1]dodeca-1(11),8(12),9-trien-6-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 138730735
2-(2-methoxyethoxy)ethyl N-[1-(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]thiazolo[5,4-c]azonin-8-yl)-4-methyl-2-oxopentan-3-yl]carbamate
CID 147516456
benzyl N-[1-[(7,8-dioxo-4,5,6,9,10,11-hexahydrooxadiazolo[4,5-d]azecin-9-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 138731011
benzyl N-[1-[(8,9-dioxo-4,5,6,7,10,11-hexahydro-[1,2]oxazolo[5,4-c]azecin-7-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 138731540
benzyl N-[1-[(7,8-dioxo-4,5,6,9,10,11-hexahydro-[1,2]oxazolo[4,5-d]azecin-9-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 138731047
benzyl N-[1-[(4,5-dioxo-3,11,12-triazabicyclo[6.3.1]dodeca-1(11),8(12),9-trien-6-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 138730404
2-(2-methoxyethoxy)ethyl N-[1-(4,5-dioxo-11-thia-3,9,10-triazabicyclo[6.2.1]undeca-1(10),8-dien-6-yl)-4-methyl-2-oxopentan-3-yl]carbamate
CID 158742444
benzyl N-[1-[(4,5-dioxo-3,9,11-triazabicyclo[6.3.1]dodeca-1(11),8(12),9-trien-6-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 138730723
benzyl N-[1-[(7,8-dioxo-5,6,9,10-tetrahydro-4H-oxadiazolo[5,4-d]azonin-9-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 138730547

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl N-[1-[(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]oxazolo[5,4-c]azonin-8-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl N-[1-[(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]oxazolo[5,4-c]azonin-8-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate (CID 138730423) is 2-(2-methoxyethoxy)ethyl N-[1-[(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]oxazolo[5,4-c]azonin-8-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl N-[1-[(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]oxazolo[5,4-c]azonin-8-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl N-[1-[(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]oxazolo[5,4-c]azonin-8-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate is COCCOCCOC(=O)NC(C(=O)NC1CCc2ncoc2CNC(=O)C1=O)C(C)C.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl N-[1-[(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]oxazolo[5,4-c]azonin-8-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is UBZAEEQUNNCZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O8/c1-12(2)16(24-20(28)31-9-8-30-7-6-29-3)18(26)23-14-5-4-13-15(32-11-22-13)10-21-19(27)17(14)25/h11-12,14,16H,4-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,28).
What are the key properties of 2-(2-methoxyethoxy)ethyl N-[1-[(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]oxazolo[5,4-c]azonin-8-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?
2-(2-methoxyethoxy)ethyl N-[1-[(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]oxazolo[5,4-c]azonin-8-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 454.48 g/mol, XLogP of -0.30, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl N-[1-[(6,7-dioxo-5,8,9,10-tetrahydro-4H-[1,3]oxazolo[5,4-c]azonin-8-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 138730423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).