N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide

C14H20N2O — CID 8901854

IUPACN-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
SMILESCc1ccc(C)c(NC(=O)CN2CCCC2)c1
InChIInChI=1S/C14H20N2O/c1-11-5-6-12(2)13(9-11)15-14(17)10-16-7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,15,17)
InChIKeyPIBZKTUXZSEKMO-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.34
Rot. Bonds3

About N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide

N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 8901854) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
PubChem CID8901854
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
SMILESCc1ccc(C)c(NC(=O)CN2CCCC2)c1
InChIInChI=1S/C14H20N2O/c1-11-5-6-12(2)13(9-11)15-14(17)10-16-7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,15,17)
InChIKeyPIBZKTUXZSEKMO-UHFFFAOYSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196969
N-(2,5-dimethylphenyl)-2-(4-fluoropiperidin-1-yl)acetamide
CID 171701345
2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-(2,5-dimethylphenyl)acetamide
CID 126212920
N-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282334
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800986
N-(2,5-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30663123
2-(3-aminopyrrolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 62068769
2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 119865183
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119926850
N-(2,5-dimethylphenyl)-2-(2-methylmorpholin-4-yl)acetamide
CID 51291532
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 1448805
2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 8719515

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide (CID 8901854) is N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide is Cc1ccc(C)c(NC(=O)CN2CCCC2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is PIBZKTUXZSEKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-5-6-12(2)13(9-11)15-14(17)10-16-7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,15,17).
What are the key properties of N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide?
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 232.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 8901854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).