N-ethyl-3-methoxypyrrolidine-1-carboxamide

C8H16N2O2 — CID 103532032

IUPACN-ethyl-3-methoxypyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(OC)C1
InChIInChI=1S/C8H16N2O2/c1-3-9-8(11)10-5-4-7(6-10)12-2/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyNPVFDVKUMYMVOI-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.44
Rot. Bonds2

About N-ethyl-3-methoxypyrrolidine-1-carboxamide

N-ethyl-3-methoxypyrrolidine-1-carboxamide (PubChem CID 103532032) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-ethyl-3-methoxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-methoxypyrrolidine-1-carboxamide
PubChem CID103532032
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-ethyl-3-methoxypyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(OC)C1
InChIInChI=1S/C8H16N2O2/c1-3-9-8(11)10-5-4-7(6-10)12-2/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyNPVFDVKUMYMVOI-UHFFFAOYSA-N
XLogP0.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

rac-3-ethyl-1-[(3R,4R)-4-methoxypyrrolidin-3-yl]urea hydrochloride
CID 54592760
1-(2-((Cis)-2,6-dimethylmorpholin-4-yl)ethyl)imidazolidin-2-one
CID 56773839
4-methoxy-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 145915642
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
3-methoxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 103532048
3,4-dimethoxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 113826969
3-(difluoromethoxy)-N-methylpyrrolidine-1-carboxamide
CID 130892153
1-Ethyl-1,3-bis(oxiran-2-ylmethyl)urea
CID 18350061

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxypyrrolidine-1-carboxamide?
The IUPAC name of N-ethyl-3-methoxypyrrolidine-1-carboxamide (CID 103532032) is N-ethyl-3-methoxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-methoxypyrrolidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-methoxypyrrolidine-1-carboxamide is CCNC(=O)N1CCC(OC)C1.
What is the InChIKey of N-ethyl-3-methoxypyrrolidine-1-carboxamide?
The InChIKey is NPVFDVKUMYMVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-9-8(11)10-5-4-7(6-10)12-2/h7H,3-6H2,1-2H3,(H,9,11).
What are the key properties of N-ethyl-3-methoxypyrrolidine-1-carboxamide?
N-ethyl-3-methoxypyrrolidine-1-carboxamide has a molecular weight of 172.23 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxypyrrolidine-1-carboxamide is sourced from PubChem (CID 103532032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).