N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-propylpyrrolidine-2-carboxamide

C18H28N2O — CID 106974588

IUPACN-[(2,4-dimethylphenyl)methyl]-N-methyl-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)N(C)Cc2ccc(C)cc2C)CCCN1
InChIInChI=1S/C18H28N2O/c1-5-9-18(10-6-11-19-18)17(21)20(4)13-16-8-7-14(2)12-15(16)3/h7-8,12,19H,5-6,9-11,13H2,1-4H3
InChIKeyGSYTVYWMJWWOIZ-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.18
Rot. Bonds5

About N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-propylpyrrolidine-2-carboxamide

N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-propylpyrrolidine-2-carboxamide (PubChem CID 106974588) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-N-methyl-2-propylpyrrolidine-2-carboxamide
PubChem CID106974588
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-N-methyl-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)N(C)Cc2ccc(C)cc2C)CCCN1
InChIInChI=1S/C18H28N2O/c1-5-9-18(10-6-11-19-18)17(21)20(4)13-16-8-7-14(2)12-15(16)3/h7-8,12,19H,5-6,9-11,13H2,1-4H3
InChIKeyGSYTVYWMJWWOIZ-UHFFFAOYSA-N
XLogP3.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.18
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
(4-methylphenyl)-(2-propylpyrrolidin-2-yl)methanone
CID 106976718
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106975311
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106974560
N-(4-ethylphenyl)-N-methyl-2-propylpyrrolidine-2-carboxamide
CID 106975067
2-(2,6-dimethylphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976659
N-ethyl-N,2-dipropylpyrrolidine-2-carboxamide
CID 106974201
N-(2-fluoro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974155
N-methyl-N-[2-(methylamino)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106975276
2-ethyl-N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide
CID 83064403
N-[(2,4-dimethylphenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide
CID 115185386
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-propylpyrrolidine-2-carboxamide
CID 106974771

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-propylpyrrolidine-2-carboxamide (CID 106974588) is N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)N(C)Cc2ccc(C)cc2C)CCCN1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-propylpyrrolidine-2-carboxamide?
The InChIKey is GSYTVYWMJWWOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-9-18(10-6-11-19-18)17(21)20(4)13-16-8-7-14(2)12-15(16)3/h7-8,12,19H,5-6,9-11,13H2,1-4H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-propylpyrrolidine-2-carboxamide?
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-propylpyrrolidine-2-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106974588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).