3-ethyl-N-[2-(2-hydroxyethyl)pentyl]pyrrolidine-3-carboxamide

C14H28N2O2 — CID 106116627

IUPAC3-ethyl-N-[2-(2-hydroxyethyl)pentyl]pyrrolidine-3-carboxamide
SMILESCCCC(CCO)CNC(=O)C1(CC)CCNC1
InChIInChI=1S/C14H28N2O2/c1-3-5-12(6-9-17)10-16-13(18)14(4-2)7-8-15-11-14/h12,15,17H,3-11H2,1-2H3,(H,16,18)
InChIKeyMLKUFNAIPBCFJQ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.29
Rot. Bonds8

About 3-ethyl-N-[2-(2-hydroxyethyl)pentyl]pyrrolidine-3-carboxamide

3-ethyl-N-[2-(2-hydroxyethyl)pentyl]pyrrolidine-3-carboxamide (PubChem CID 106116627) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-ethyl-N-[2-(2-hydroxyethyl)pentyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[2-(2-hydroxyethyl)pentyl]pyrrolidine-3-carboxamide
PubChem CID106116627
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-ethyl-N-[2-(2-hydroxyethyl)pentyl]pyrrolidine-3-carboxamide
SMILESCCCC(CCO)CNC(=O)C1(CC)CCNC1
InChIInChI=1S/C14H28N2O2/c1-3-5-12(6-9-17)10-16-13(18)14(4-2)7-8-15-11-14/h12,15,17H,3-11H2,1-2H3,(H,16,18)
InChIKeyMLKUFNAIPBCFJQ-UHFFFAOYSA-N
XLogP1.29
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-hydroxyethyl)pentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106116600
3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide
CID 102905966
3-ethyl-N-hexan-3-ylpyrrolidine-3-carboxamide
CID 63142124
1-(aminomethyl)-N-[2-(2-hydroxyethyl)pentyl]cyclobutane-1-carboxamide
CID 106116673
1-amino-N-[2-(2-hydroxyethyl)pentyl]cyclohexane-1-carboxamide
CID 106116803
N-(1,3-dihydroxypropan-2-yl)-3-ethylpyrrolidine-3-carboxamide
CID 65314830
3-ethyl-N-octylpyrrolidine-3-carboxamide
CID 115567862
3-ethyl-N-(4-hydroxypentyl)pyrrolidine-3-carboxamide
CID 106134765
N-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide
CID 63141705
1-cyano-N-[2-(2-hydroxyethyl)pentyl]cyclohexane-1-carboxamide
CID 103722771
3-ethyl-N-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-3-carboxamide
CID 63142216
(2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63141520

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(2-hydroxyethyl)pentyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-[2-(2-hydroxyethyl)pentyl]pyrrolidine-3-carboxamide (CID 106116627) is 3-ethyl-N-[2-(2-hydroxyethyl)pentyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-[2-(2-hydroxyethyl)pentyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-[2-(2-hydroxyethyl)pentyl]pyrrolidine-3-carboxamide is CCCC(CCO)CNC(=O)C1(CC)CCNC1.
What is the InChIKey of 3-ethyl-N-[2-(2-hydroxyethyl)pentyl]pyrrolidine-3-carboxamide?
The InChIKey is MLKUFNAIPBCFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-5-12(6-9-17)10-16-13(18)14(4-2)7-8-15-11-14/h12,15,17H,3-11H2,1-2H3,(H,16,18).
What are the key properties of 3-ethyl-N-[2-(2-hydroxyethyl)pentyl]pyrrolidine-3-carboxamide?
3-ethyl-N-[2-(2-hydroxyethyl)pentyl]pyrrolidine-3-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.29, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(2-hydroxyethyl)pentyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 106116627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).