N-butyl-3-ethyl-N-(2-hydroxyethyl)pyrrolidine-3-carboxamide

C13H26N2O2 — CID 63143750

IUPACN-butyl-3-ethyl-N-(2-hydroxyethyl)pyrrolidine-3-carboxamide
SMILESCCCCN(CCO)C(=O)C1(CC)CCNC1
InChIInChI=1S/C13H26N2O2/c1-3-5-8-15(9-10-16)12(17)13(4-2)6-7-14-11-13/h14,16H,3-11H2,1-2H3
InChIKeyNQCGINFAVKBLNQ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.00
Rot. Bonds7

About N-butyl-3-ethyl-N-(2-hydroxyethyl)pyrrolidine-3-carboxamide

N-butyl-3-ethyl-N-(2-hydroxyethyl)pyrrolidine-3-carboxamide (PubChem CID 63143750) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-butyl-3-ethyl-N-(2-hydroxyethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-3-ethyl-N-(2-hydroxyethyl)pyrrolidine-3-carboxamide
PubChem CID63143750
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-butyl-3-ethyl-N-(2-hydroxyethyl)pyrrolidine-3-carboxamide
SMILESCCCCN(CCO)C(=O)C1(CC)CCNC1
InChIInChI=1S/C13H26N2O2/c1-3-5-8-15(9-10-16)12(17)13(4-2)6-7-14-11-13/h14,16H,3-11H2,1-2H3
InChIKeyNQCGINFAVKBLNQ-UHFFFAOYSA-N
XLogP1.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(2-hydroxyethyl)-N-propylpiperidine-4-carboxamide
CID 63128322
N-butyl-N-(2-hydroxyethyl)-3-propylpiperidine-3-carboxamide
CID 63131187
N-butyl-N-(2-hydroxyethyl)-3-methylpiperidine-3-carboxamide
CID 63131141
N-butyl-N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide
CID 63143362
N-[3-(dimethylamino)propyl]-3-ethyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 63143867
N-hexyl-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980166
N,N-bis(cyanomethyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140597
3-ethyl-N-(2-hydroxyethyl)-N-methylpiperidine-3-carboxamide
CID 63131049
N-ethyl-N-(2-hydroxyethyl)-3-propylpiperidine-3-carboxamide
CID 63131140
N-(2-ethoxyethyl)-N,3-diethylpyrrolidine-3-carboxamide
CID 63692883
1-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 115435051
N-butyl-N-cyclopropyl-3-ethylpiperidine-3-carboxamide
CID 63131459

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-ethyl-N-(2-hydroxyethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-butyl-3-ethyl-N-(2-hydroxyethyl)pyrrolidine-3-carboxamide (CID 63143750) is N-butyl-3-ethyl-N-(2-hydroxyethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-butyl-3-ethyl-N-(2-hydroxyethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-butyl-3-ethyl-N-(2-hydroxyethyl)pyrrolidine-3-carboxamide is CCCCN(CCO)C(=O)C1(CC)CCNC1.
What is the InChIKey of N-butyl-3-ethyl-N-(2-hydroxyethyl)pyrrolidine-3-carboxamide?
The InChIKey is NQCGINFAVKBLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-5-8-15(9-10-16)12(17)13(4-2)6-7-14-11-13/h14,16H,3-11H2,1-2H3.
What are the key properties of N-butyl-3-ethyl-N-(2-hydroxyethyl)pyrrolidine-3-carboxamide?
N-butyl-3-ethyl-N-(2-hydroxyethyl)pyrrolidine-3-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-ethyl-N-(2-hydroxyethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63143750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).