N-(4-butylphenyl)-2-ethylpyrrolidine-2-carboxamide

C17H26N2O — CID 83080696

IUPACN-(4-butylphenyl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCCCc1ccc(NC(=O)C2(CC)CCCN2)cc1
InChIInChI=1S/C17H26N2O/c1-3-5-7-14-8-10-15(11-9-14)19-16(20)17(4-2)12-6-13-18-17/h8-11,18H,3-7,12-13H2,1-2H3,(H,19,20)
InChIKeyUEXWPAVJSKWIOE-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.50
Rot. Bonds6

About N-(4-butylphenyl)-2-ethylpyrrolidine-2-carboxamide

N-(4-butylphenyl)-2-ethylpyrrolidine-2-carboxamide (PubChem CID 83080696) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-ethylpyrrolidine-2-carboxamide
PubChem CID83080696
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(4-butylphenyl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCCCc1ccc(NC(=O)C2(CC)CCCN2)cc1
InChIInChI=1S/C17H26N2O/c1-3-5-7-14-8-10-15(11-9-14)19-16(20)17(4-2)12-6-13-18-17/h8-11,18H,3-7,12-13H2,1-2H3,(H,19,20)
InChIKeyUEXWPAVJSKWIOE-UHFFFAOYSA-N
XLogP3.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974084
N-(3-chloro-4-hydroxyphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 107679774
2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide
CID 83071655
N-(4-carbamoylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974031
2-ethyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 83063454
(2-ethylpyrrolidin-2-yl)-(4-propylphenyl)methanone
CID 116608056
(2R)-2-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 129381268
2-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 83080161
3-methyl-N-(4-pentylphenyl)piperidine-3-carboxamide
CID 63134870
methyl 4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoate
CID 106974927
2-ethyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 83080247
N-[4-(methylcarbamoyl)phenyl]-2-propylpyrrolidine-2-carboxamide
CID 106974366

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-ethylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4-butylphenyl)-2-ethylpyrrolidine-2-carboxamide (CID 83080696) is N-(4-butylphenyl)-2-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-2-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-2-ethylpyrrolidine-2-carboxamide is CCCCc1ccc(NC(=O)C2(CC)CCCN2)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-ethylpyrrolidine-2-carboxamide?
The InChIKey is UEXWPAVJSKWIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-5-7-14-8-10-15(11-9-14)19-16(20)17(4-2)12-6-13-18-17/h8-11,18H,3-7,12-13H2,1-2H3,(H,19,20).
What are the key properties of N-(4-butylphenyl)-2-ethylpyrrolidine-2-carboxamide?
N-(4-butylphenyl)-2-ethylpyrrolidine-2-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 83080696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).