N-ethyl-N-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide

C15H28N2O2 — CID 63141891

IUPACN-ethyl-N-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N(CC)CC2CCCO2)CCNC1
InChIInChI=1S/C15H28N2O2/c1-3-7-15(8-9-16-12-15)14(18)17(4-2)11-13-6-5-10-19-13/h13,16H,3-12H2,1-2H3
InChIKeyIACWRXRUSFSLRS-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds6

About N-ethyl-N-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide

N-ethyl-N-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide (PubChem CID 63141891) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-ethyl-N-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide
PubChem CID63141891
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-ethyl-N-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N(CC)CC2CCCO2)CCNC1
InChIInChI=1S/C15H28N2O2/c1-3-7-15(8-9-16-12-15)14(18)17(4-2)11-13-6-5-10-19-13/h13,16H,3-12H2,1-2H3
InChIKeyIACWRXRUSFSLRS-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(oxan-2-ylmethyl)-4-propylpiperidine-4-carboxamide
CID 63129141
1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119750528
N-(cyclopropylmethyl)-N,3-dipropylpyrrolidine-3-carboxamide
CID 63138996
4-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120927937
N-methyl-N-(oxan-4-ylmethyl)-3-propylpyrrolidine-3-carboxamide
CID 55226836
1-carbamothioyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
CID 55037680
1-cyano-N-ethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 80598016
N-ethyl-2-(1-hydroxycyclopentyl)-N-(oxolan-2-ylmethyl)acetamide
CID 111430742
N,N-bis(2-amino-2-oxoethyl)-3-propylpyrrolidine-3-carboxamide
CID 63142003
N,4-dimethyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 63122472
N-ethyl-N-(2-hydroxyethyl)-3-propylpiperidine-3-carboxamide
CID 63131140
1-carbamothioyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide
CID 80590245

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-N-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide (CID 63141891) is N-ethyl-N-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)N(CC)CC2CCCO2)CCNC1.
What is the InChIKey of N-ethyl-N-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide?
The InChIKey is IACWRXRUSFSLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-7-15(8-9-16-12-15)14(18)17(4-2)11-13-6-5-10-19-13/h13,16H,3-12H2,1-2H3.
What are the key properties of N-ethyl-N-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide?
N-ethyl-N-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63141891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).