2-ethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-2-carboxamide

C17H26N2O — CID 83079717

IUPAC2-ethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2c(C)cccc2C(C)C)CCCN1
InChIInChI=1S/C17H26N2O/c1-5-17(10-7-11-18-17)16(20)19-15-13(4)8-6-9-14(15)12(2)3/h6,8-9,12,18H,5,7,10-11H2,1-4H3,(H,19,20)
InChIKeyYTPBOBKPVSNESA-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.59
Rot. Bonds4

About 2-ethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-2-carboxamide

2-ethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-2-carboxamide (PubChem CID 83079717) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-ethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-2-carboxamide
PubChem CID83079717
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-ethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2c(C)cccc2C(C)C)CCCN1
InChIInChI=1S/C17H26N2O/c1-5-17(10-7-11-18-17)16(20)19-15-13(4)8-6-9-14(15)12(2)3/h6,8-9,12,18H,5,7,10-11H2,1-4H3,(H,19,20)
InChIKeyYTPBOBKPVSNESA-UHFFFAOYSA-N
XLogP3.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-(2-ethyl-6-methylphenyl)pyrrolidine-2-carboxamide
CID 83080160
N-(2-chloro-6-methylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071716
N-(2-cyano-3-methylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 107805121
1-amino-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 65465254
1-carbamothioyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 80592389
1-N',1-N'-diethyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979075
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
2-ethyl-N-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 83079723
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-ethylpyrrolidine-2-carboxamide
CID 83080092
2-(1-hydroxycyclopentyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 111720133
N-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106973997
2-ethyl-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 83072984

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-2-carboxamide (CID 83079717) is 2-ethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-2-carboxamide is CCC1(C(=O)Nc2c(C)cccc2C(C)C)CCCN1.
What is the InChIKey of 2-ethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is YTPBOBKPVSNESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-17(10-7-11-18-17)16(20)19-15-13(4)8-6-9-14(15)12(2)3/h6,8-9,12,18H,5,7,10-11H2,1-4H3,(H,19,20).
What are the key properties of 2-ethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-2-carboxamide?
2-ethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 83079717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).