(2,5-dioxopyrrolidin-1-yl) [4-(3-methylbutylcarbamoyl)phenyl] carbonate

C17H20N2O6 — CID 129016839

IUPAC(2,5-dioxopyrrolidin-1-yl) [4-(3-methylbutylcarbamoyl)phenyl] carbonate
SMILESCC(C)CCNC(=O)c1ccc(OC(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C17H20N2O6/c1-11(2)9-10-18-16(22)12-3-5-13(6-4-12)24-17(23)25-19-14(20)7-8-15(19)21/h3-6,11H,7-10H2,1-2H3,(H,18,22)
InChIKeyGUIALBJYHYJDJF-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.04
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) [4-(3-methylbutylcarbamoyl)phenyl] carbonate

(2,5-dioxopyrrolidin-1-yl) [4-(3-methylbutylcarbamoyl)phenyl] carbonate (PubChem CID 129016839) has the molecular formula C17H20N2O6 and a molecular weight of 348.36 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) [4-(3-methylbutylcarbamoyl)phenyl] carbonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) [4-(3-methylbutylcarbamoyl)phenyl] carbonate
PubChem CID129016839
Molecular FormulaC17H20N2O6
Molecular Weight348.36 g/mol
Exact Mass348.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) [4-(3-methylbutylcarbamoyl)phenyl] carbonate
SMILESCC(C)CCNC(=O)c1ccc(OC(=O)ON2C(=O)CCC2=O)cc1
InChIInChI=1S/C17H20N2O6/c1-11(2)9-10-18-16(22)12-3-5-13(6-4-12)24-17(23)25-19-14(20)7-8-15(19)21/h3-6,11H,7-10H2,1-2H3,(H,18,22)
InChIKeyGUIALBJYHYJDJF-UHFFFAOYSA-N
XLogP2.04
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(3-methylbutyl)benzamide
CID 51195030
4-iodo-N-(3-methylbutyl)benzamide
CID 2232834
4-methoxy-N-[2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]ethyl]benzamide
CID 110977357
[4-[4-(cyclopropanecarbonylamino)phenyl]phenyl] (2,5-dioxopyrrolidin-1-yl) carbonate;N-cyclopropyl-4-(4-hydroxyphenyl)benzamide
CID 159981063
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
[2,7-bis(propylcarbamoyl)-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 163680994
4-fluoro-3-methyl-N-(3-methylbutyl)benzamide
CID 63212522
N-(3-hydroxypropyl)-4-(3-methylbutoxy)benzamide
CID 78796548
4-[(E)-methoxyiminomethyl]-N-(3-methylbutyl)benzamide
CID 47101423
(2,5-dioxopyrrolidin-1-yl) 6-[(4-benzoylbenzoyl)amino]hexanoate
CID 18671258
4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide
CID 4938333
N-(3-methylbutyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]propanamide
CID 104982164

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) [4-(3-methylbutylcarbamoyl)phenyl] carbonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) [4-(3-methylbutylcarbamoyl)phenyl] carbonate (CID 129016839) is (2,5-dioxopyrrolidin-1-yl) [4-(3-methylbutylcarbamoyl)phenyl] carbonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) [4-(3-methylbutylcarbamoyl)phenyl] carbonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) [4-(3-methylbutylcarbamoyl)phenyl] carbonate is CC(C)CCNC(=O)c1ccc(OC(=O)ON2C(=O)CCC2=O)cc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) [4-(3-methylbutylcarbamoyl)phenyl] carbonate?
The InChIKey is GUIALBJYHYJDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6/c1-11(2)9-10-18-16(22)12-3-5-13(6-4-12)24-17(23)25-19-14(20)7-8-15(19)21/h3-6,11H,7-10H2,1-2H3,(H,18,22).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) [4-(3-methylbutylcarbamoyl)phenyl] carbonate?
(2,5-dioxopyrrolidin-1-yl) [4-(3-methylbutylcarbamoyl)phenyl] carbonate has a molecular weight of 348.36 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) [4-(3-methylbutylcarbamoyl)phenyl] carbonate is sourced from PubChem (CID 129016839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).