N-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxamide

C11H22N2O2 — CID 21061623

IUPACN-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(OC(C)(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-5-12-10(14)13-7-6-9(8-13)15-11(2,3)4/h9H,5-8H2,1-4H3,(H,12,14)
InChIKeyUMDAVAFVYMEGHU-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.61
Rot. Bonds2

About N-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxamide

N-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxamide (PubChem CID 21061623) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxamide
PubChem CID21061623
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(OC(C)(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-5-12-10(14)13-7-6-9(8-13)15-11(2,3)4/h9H,5-8H2,1-4H3,(H,12,14)
InChIKeyUMDAVAFVYMEGHU-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tert-butyl 3-(2-aminoethoxy)pyrrolidine-1-carboxylate
CID 66563850
1-(2-((Cis)-2,6-dimethylmorpholin-4-yl)ethyl)imidazolidin-2-one
CID 56773839
tert-butyl (3S)-3-(3-aminopropoxy)pyrrolidine-1-carboxylate
CID 170914007
tert-butyl (3R)-3-(3-aminopropoxy)pyrrolidine-1-carboxylate
CID 177787502
1-(2-Methoxyethyl)-3-(4-(pyrrolidin-1-yl)but-2-yn-1-yl)urea
CID 71792601
3-Ethyl-1-[(3R,4R)-4-methoxypyrrolidin-3-yl]urea
CID 52908262
1-(4-Methoxypyrrolidin-3-yl)-3-(propan-2-yl)urea
CID 74884463
(3S)-N-tert-butyl-3-methoxypyrrolidine-1-carboxamide
CID 164643446
(3R)-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 99799741
1-[2-[2-(Butylamino)ethoxy]ethyl]imidazolidin-2-one
CID 22381141
1-ethyl-3-[(3R,4S)-4-methoxypyrrolidin-3-yl]urea
CID 51714219
1-ethyl-3-[(3S,4S)-4-methoxypyrrolidin-3-yl]urea
CID 51714221

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxamide?
The IUPAC name of N-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxamide (CID 21061623) is N-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxamide is CCNC(=O)N1CCC(OC(C)(C)C)C1.
What is the InChIKey of N-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxamide?
The InChIKey is UMDAVAFVYMEGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-12-10(14)13-7-6-9(8-13)15-11(2,3)4/h9H,5-8H2,1-4H3,(H,12,14).
What are the key properties of N-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxamide?
N-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboxamide is sourced from PubChem (CID 21061623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).