N-(4-ethylphenyl)-N-methyl-2-propylpyrrolidine-2-carboxamide

C17H26N2O — CID 106975067

IUPACN-(4-ethylphenyl)-N-methyl-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)N(C)c2ccc(CC)cc2)CCCN1
InChIInChI=1S/C17H26N2O/c1-4-11-17(12-6-13-18-17)16(20)19(3)15-9-7-14(5-2)8-10-15/h7-10,18H,4-6,11-13H2,1-3H3
InChIKeyWOKNTUNOAVQQJL-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.13
Rot. Bonds5

About N-(4-ethylphenyl)-N-methyl-2-propylpyrrolidine-2-carboxamide

N-(4-ethylphenyl)-N-methyl-2-propylpyrrolidine-2-carboxamide (PubChem CID 106975067) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-methyl-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-methyl-2-propylpyrrolidine-2-carboxamide
PubChem CID106975067
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(4-ethylphenyl)-N-methyl-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)N(C)c2ccc(CC)cc2)CCCN1
InChIInChI=1S/C17H26N2O/c1-4-11-17(12-6-13-18-17)16(20)19(3)15-9-7-14(5-2)8-10-15/h7-10,18H,4-6,11-13H2,1-3H3
InChIKeyWOKNTUNOAVQQJL-UHFFFAOYSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106975073
N-(4-ethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974084
N-(2-methoxyphenyl)-N-methyl-2-propylpyrrolidine-2-carboxamide
CID 106975064
2-ethyl-N-methyl-N-(4-nitrophenyl)pyrrolidine-2-carboxamide
CID 83079551
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106974560
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-propylpyrrolidine-2-carboxamide
CID 106974588
N-ethyl-N,2-dipropylpyrrolidine-2-carboxamide
CID 106974201
N-methyl-N-[2-(methylamino)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106975276
N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propylpyrrolidine-2-carboxamide
CID 106975714
N-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106973997
N-[(4-fluorophenyl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106974072
N,N-bis(2-methylpropyl)-2-propylpyrrolidine-2-carboxamide
CID 106974292

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-methyl-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-N-methyl-2-propylpyrrolidine-2-carboxamide (CID 106975067) is N-(4-ethylphenyl)-N-methyl-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-N-methyl-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-N-methyl-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)N(C)c2ccc(CC)cc2)CCCN1.
What is the InChIKey of N-(4-ethylphenyl)-N-methyl-2-propylpyrrolidine-2-carboxamide?
The InChIKey is WOKNTUNOAVQQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-11-17(12-6-13-18-17)16(20)19(3)15-9-7-14(5-2)8-10-15/h7-10,18H,4-6,11-13H2,1-3H3.
What are the key properties of N-(4-ethylphenyl)-N-methyl-2-propylpyrrolidine-2-carboxamide?
N-(4-ethylphenyl)-N-methyl-2-propylpyrrolidine-2-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-methyl-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106975067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).