N-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide

C18H28N2O — CID 106973997

IUPACN-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2c(CC)cccc2CC)CCCN1
InChIInChI=1S/C18H28N2O/c1-4-11-18(12-8-13-19-18)17(21)20-16-14(5-2)9-7-10-15(16)6-3/h7,9-10,19H,4-6,8,11-13H2,1-3H3,(H,20,21)
InChIKeyUVNLZQRQSRHGGD-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.67
Rot. Bonds6

About N-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide

N-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide (PubChem CID 106973997) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide
PubChem CID106973997
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2c(CC)cccc2CC)CCCN1
InChIInChI=1S/C18H28N2O/c1-4-11-18(12-8-13-19-18)17(21)20-16-14(5-2)9-7-10-15(16)6-3/h7,9-10,19H,4-6,8,11-13H2,1-3H3,(H,20,21)
InChIKeyUVNLZQRQSRHGGD-UHFFFAOYSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.67
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-(4-ethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974084
2-propyl-N-(2,4,6-trichlorophenyl)pyrrolidine-2-carboxamide
CID 106974176
N-(2,3-dichlorophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974147
N-(4-carbamoylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974031
N-(3-methylsulfonylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974512
N-(2-ethylsulfanylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974526
2-propyl-N-quinolin-8-ylpyrrolidine-2-carboxamide
CID 106973994
methyl 4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoate
CID 106974927
N-[4-(methylcarbamoyl)phenyl]-2-propylpyrrolidine-2-carboxamide
CID 106974366
N-(2-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974417
N-(2-cyano-3-fluorophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974284

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide (CID 106973997) is N-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)Nc2c(CC)cccc2CC)CCCN1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide?
The InChIKey is UVNLZQRQSRHGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-11-18(12-8-13-19-18)17(21)20-16-14(5-2)9-7-10-15(16)6-3/h7,9-10,19H,4-6,8,11-13H2,1-3H3,(H,20,21).
What are the key properties of N-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide?
N-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106973997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).