N-[(4-methylphenyl)methyl]-N-propyl-2-pyrrolidin-2-ylacetamide

C17H26N2O — CID 61365434

IUPACN-[(4-methylphenyl)methyl]-N-propyl-2-pyrrolidin-2-ylacetamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)CC1CCCN1
InChIInChI=1S/C17H26N2O/c1-3-11-19(13-15-8-6-14(2)7-9-15)17(20)12-16-5-4-10-18-16/h6-9,16,18H,3-5,10-13H2,1-2H3
InChIKeyJVDUIOVOVKGDGS-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.88
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-N-propyl-2-pyrrolidin-2-ylacetamide

N-[(4-methylphenyl)methyl]-N-propyl-2-pyrrolidin-2-ylacetamide (PubChem CID 61365434) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-N-propyl-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-N-propyl-2-pyrrolidin-2-ylacetamide
PubChem CID61365434
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[(4-methylphenyl)methyl]-N-propyl-2-pyrrolidin-2-ylacetamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)CC1CCCN1
InChIInChI=1S/C17H26N2O/c1-3-11-19(13-15-8-6-14(2)7-9-15)17(20)12-16-5-4-10-18-16/h6-9,16,18H,3-5,10-13H2,1-2H3
InChIKeyJVDUIOVOVKGDGS-UHFFFAOYSA-N
XLogP2.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide
CID 61365242
N-[(4-methylphenyl)methyl]-N-propyl-2-thiomorpholin-3-ylacetamide
CID 66422844
N-[(4-ethylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61370210
N-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide
CID 119752528
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119743612
N-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119752527
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61364086
methyl 2-[benzyl-(2-pyrrolidin-2-ylacetyl)amino]acetate
CID 61366041
N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-propylacetamide
CID 103161528
N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106612681
N-(2-amino-2-oxoethyl)-N-benzyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119783040
N,N-bis[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86331312

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-N-propyl-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-N-propyl-2-pyrrolidin-2-ylacetamide (CID 61365434) is N-[(4-methylphenyl)methyl]-N-propyl-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-N-propyl-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-N-propyl-2-pyrrolidin-2-ylacetamide is CCCN(Cc1ccc(C)cc1)C(=O)CC1CCCN1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-N-propyl-2-pyrrolidin-2-ylacetamide?
The InChIKey is JVDUIOVOVKGDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-11-19(13-15-8-6-14(2)7-9-15)17(20)12-16-5-4-10-18-16/h6-9,16,18H,3-5,10-13H2,1-2H3.
What are the key properties of N-[(4-methylphenyl)methyl]-N-propyl-2-pyrrolidin-2-ylacetamide?
N-[(4-methylphenyl)methyl]-N-propyl-2-pyrrolidin-2-ylacetamide has a molecular weight of 274.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-N-propyl-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61365434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).