[2-cyclopropyl-4-(2-ethyl-4,6-dimethylphenyl)-2-methyl-5-oxopyrrolidin-3-yl] N,N-dimethylcarbamate

C21H30N2O3 — CID 71169091

IUPAC[2-cyclopropyl-4-(2-ethyl-4,6-dimethylphenyl)-2-methyl-5-oxopyrrolidin-3-yl] N,N-dimethylcarbamate
SMILESCCc1cc(C)cc(C)c1C1C(=O)NC(C)(C2CC2)C1OC(=O)N(C)C
InChIInChI=1S/C21H30N2O3/c1-7-14-11-12(2)10-13(3)16(14)17-18(26-20(25)23(5)6)21(4,15-8-9-15)22-19(17)24/h10-11,15,17-18H,7-9H2,1-6H3,(H,22,24)
InChIKeyMRTSONHKCKLYKP-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.31
Rot. Bonds4

About [2-cyclopropyl-4-(2-ethyl-4,6-dimethylphenyl)-2-methyl-5-oxopyrrolidin-3-yl] N,N-dimethylcarbamate

[2-cyclopropyl-4-(2-ethyl-4,6-dimethylphenyl)-2-methyl-5-oxopyrrolidin-3-yl] N,N-dimethylcarbamate (PubChem CID 71169091) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is [2-cyclopropyl-4-(2-ethyl-4,6-dimethylphenyl)-2-methyl-5-oxopyrrolidin-3-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[2-cyclopropyl-4-(2-ethyl-4,6-dimethylphenyl)-2-methyl-5-oxopyrrolidin-3-yl] N,N-dimethylcarbamate
PubChem CID71169091
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name[2-cyclopropyl-4-(2-ethyl-4,6-dimethylphenyl)-2-methyl-5-oxopyrrolidin-3-yl] N,N-dimethylcarbamate
SMILESCCc1cc(C)cc(C)c1C1C(=O)NC(C)(C2CC2)C1OC(=O)N(C)C
InChIInChI=1S/C21H30N2O3/c1-7-14-11-12(2)10-13(3)16(14)17-18(26-20(25)23(5)6)21(4,15-8-9-15)22-19(17)24/h10-11,15,17-18H,7-9H2,1-6H3,(H,22,24)
InChIKeyMRTSONHKCKLYKP-UHFFFAOYSA-N
XLogP3.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-4-(2-ethyl-4,6-dimethylphenyl)-2-methyl-5-oxopyrrolidin-3-yl] N,N-dimethylcarbamate?
The IUPAC name of [2-cyclopropyl-4-(2-ethyl-4,6-dimethylphenyl)-2-methyl-5-oxopyrrolidin-3-yl] N,N-dimethylcarbamate (CID 71169091) is [2-cyclopropyl-4-(2-ethyl-4,6-dimethylphenyl)-2-methyl-5-oxopyrrolidin-3-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [2-cyclopropyl-4-(2-ethyl-4,6-dimethylphenyl)-2-methyl-5-oxopyrrolidin-3-yl] N,N-dimethylcarbamate?
The canonical SMILES for [2-cyclopropyl-4-(2-ethyl-4,6-dimethylphenyl)-2-methyl-5-oxopyrrolidin-3-yl] N,N-dimethylcarbamate is CCc1cc(C)cc(C)c1C1C(=O)NC(C)(C2CC2)C1OC(=O)N(C)C.
What is the InChIKey of [2-cyclopropyl-4-(2-ethyl-4,6-dimethylphenyl)-2-methyl-5-oxopyrrolidin-3-yl] N,N-dimethylcarbamate?
The InChIKey is MRTSONHKCKLYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-7-14-11-12(2)10-13(3)16(14)17-18(26-20(25)23(5)6)21(4,15-8-9-15)22-19(17)24/h10-11,15,17-18H,7-9H2,1-6H3,(H,22,24).
What are the key properties of [2-cyclopropyl-4-(2-ethyl-4,6-dimethylphenyl)-2-methyl-5-oxopyrrolidin-3-yl] N,N-dimethylcarbamate?
[2-cyclopropyl-4-(2-ethyl-4,6-dimethylphenyl)-2-methyl-5-oxopyrrolidin-3-yl] N,N-dimethylcarbamate has a molecular weight of 358.48 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-4-(2-ethyl-4,6-dimethylphenyl)-2-methyl-5-oxopyrrolidin-3-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 71169091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).