[6-methyl-3-propan-2-yl-2-(pyrrolidine-1-carbonyloxy)phenyl] pyrrolidine-1-carboxylate

C20H28N2O4 — CID 118272508

IUPAC[6-methyl-3-propan-2-yl-2-(pyrrolidine-1-carbonyloxy)phenyl] pyrrolidine-1-carboxylate
SMILESCc1ccc(C(C)C)c(OC(=O)N2CCCC2)c1OC(=O)N1CCCC1
InChIInChI=1S/C20H28N2O4/c1-14(2)16-9-8-15(3)17(25-19(23)21-10-4-5-11-21)18(16)26-20(24)22-12-6-7-13-22/h8-9,14H,4-7,10-13H2,1-3H3
InChIKeyGZFKDAOVACXQKR-UHFFFAOYSA-N
MW360.45 g/mol
LogP4.31
Rot. Bonds3

About [6-methyl-3-propan-2-yl-2-(pyrrolidine-1-carbonyloxy)phenyl] pyrrolidine-1-carboxylate

[6-methyl-3-propan-2-yl-2-(pyrrolidine-1-carbonyloxy)phenyl] pyrrolidine-1-carboxylate (PubChem CID 118272508) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is [6-methyl-3-propan-2-yl-2-(pyrrolidine-1-carbonyloxy)phenyl] pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[6-methyl-3-propan-2-yl-2-(pyrrolidine-1-carbonyloxy)phenyl] pyrrolidine-1-carboxylate
PubChem CID118272508
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name[6-methyl-3-propan-2-yl-2-(pyrrolidine-1-carbonyloxy)phenyl] pyrrolidine-1-carboxylate
SMILESCc1ccc(C(C)C)c(OC(=O)N2CCCC2)c1OC(=O)N1CCCC1
InChIInChI=1S/C20H28N2O4/c1-14(2)16-9-8-15(3)17(25-19(23)21-10-4-5-11-21)18(16)26-20(24)22-12-6-7-13-22/h8-9,14H,4-7,10-13H2,1-3H3
InChIKeyGZFKDAOVACXQKR-UHFFFAOYSA-N
XLogP4.31
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-3-propan-2-yl-2-(pyrrolidine-1-carbonyloxy)phenyl] pyrrolidine-1-carboxylate?
The IUPAC name of [6-methyl-3-propan-2-yl-2-(pyrrolidine-1-carbonyloxy)phenyl] pyrrolidine-1-carboxylate (CID 118272508) is [6-methyl-3-propan-2-yl-2-(pyrrolidine-1-carbonyloxy)phenyl] pyrrolidine-1-carboxylate.
What is the SMILES notation for [6-methyl-3-propan-2-yl-2-(pyrrolidine-1-carbonyloxy)phenyl] pyrrolidine-1-carboxylate?
The canonical SMILES for [6-methyl-3-propan-2-yl-2-(pyrrolidine-1-carbonyloxy)phenyl] pyrrolidine-1-carboxylate is Cc1ccc(C(C)C)c(OC(=O)N2CCCC2)c1OC(=O)N1CCCC1.
What is the InChIKey of [6-methyl-3-propan-2-yl-2-(pyrrolidine-1-carbonyloxy)phenyl] pyrrolidine-1-carboxylate?
The InChIKey is GZFKDAOVACXQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-14(2)16-9-8-15(3)17(25-19(23)21-10-4-5-11-21)18(16)26-20(24)22-12-6-7-13-22/h8-9,14H,4-7,10-13H2,1-3H3.
What are the key properties of [6-methyl-3-propan-2-yl-2-(pyrrolidine-1-carbonyloxy)phenyl] pyrrolidine-1-carboxylate?
[6-methyl-3-propan-2-yl-2-(pyrrolidine-1-carbonyloxy)phenyl] pyrrolidine-1-carboxylate has a molecular weight of 360.45 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-3-propan-2-yl-2-(pyrrolidine-1-carbonyloxy)phenyl] pyrrolidine-1-carboxylate is sourced from PubChem (CID 118272508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).