(2,4,6-trimethylphenyl) N-pyrrolidin-3-ylcarbamate

C14H20N2O2 — CID 116819980

IUPAC(2,4,6-trimethylphenyl) N-pyrrolidin-3-ylcarbamate
SMILESCc1cc(C)c(OC(=O)NC2CCNC2)c(C)c1
InChIInChI=1S/C14H20N2O2/c1-9-6-10(2)13(11(3)7-9)18-14(17)16-12-4-5-15-8-12/h6-7,12,15H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyQWUSJGOGEJPCOZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.06
Rot. Bonds2

About (2,4,6-trimethylphenyl) N-pyrrolidin-3-ylcarbamate

(2,4,6-trimethylphenyl) N-pyrrolidin-3-ylcarbamate (PubChem CID 116819980) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2,4,6-trimethylphenyl) N-pyrrolidin-3-ylcarbamate.

Molecular Properties

Compound Name(2,4,6-trimethylphenyl) N-pyrrolidin-3-ylcarbamate
PubChem CID116819980
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2,4,6-trimethylphenyl) N-pyrrolidin-3-ylcarbamate
SMILESCc1cc(C)c(OC(=O)NC2CCNC2)c(C)c1
InChIInChI=1S/C14H20N2O2/c1-9-6-10(2)13(11(3)7-9)18-14(17)16-12-4-5-15-8-12/h6-7,12,15H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyQWUSJGOGEJPCOZ-UHFFFAOYSA-N
XLogP2.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5,7-trimethyl-N-[(3S)-pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydrochloride
CID 154896293
ethyl N-pyrrolidin-3-ylcarbamate
CID 11321104
ethyl N-[(3R)-pyrrolidin-3-yl]carbamate;hydrochloride
CID 118918439
2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 43603662
1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea
CID 66630468
4,6,7-trimethyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide
CID 68709252
4,6-dimethyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 166178324
3-(2,4,6-trimethylphenoxy)pyrrolidine
CID 83532626
5-oxo-N-pyrrolidin-3-yl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119450293
2-(2,5-dimethylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119452617
N-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-3-amine
CID 115118890
1-cyclobutyl-3-pyrrolidin-3-ylurea
CID 116658204

Frequently Asked Questions

What is the IUPAC name of (2,4,6-trimethylphenyl) N-pyrrolidin-3-ylcarbamate?
The IUPAC name of (2,4,6-trimethylphenyl) N-pyrrolidin-3-ylcarbamate (CID 116819980) is (2,4,6-trimethylphenyl) N-pyrrolidin-3-ylcarbamate.
What is the SMILES notation for (2,4,6-trimethylphenyl) N-pyrrolidin-3-ylcarbamate?
The canonical SMILES for (2,4,6-trimethylphenyl) N-pyrrolidin-3-ylcarbamate is Cc1cc(C)c(OC(=O)NC2CCNC2)c(C)c1.
What is the InChIKey of (2,4,6-trimethylphenyl) N-pyrrolidin-3-ylcarbamate?
The InChIKey is QWUSJGOGEJPCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-6-10(2)13(11(3)7-9)18-14(17)16-12-4-5-15-8-12/h6-7,12,15H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of (2,4,6-trimethylphenyl) N-pyrrolidin-3-ylcarbamate?
(2,4,6-trimethylphenyl) N-pyrrolidin-3-ylcarbamate has a molecular weight of 248.33 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trimethylphenyl) N-pyrrolidin-3-ylcarbamate is sourced from PubChem (CID 116819980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).