N-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylacetamide

C15H22N2O — CID 115160160

IUPACN-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESCc1ccc(C)c(CNC(=O)CC2CCCN2)c1
InChIInChI=1S/C15H22N2O/c1-11-5-6-12(2)13(8-11)10-17-15(18)9-14-4-3-7-16-14/h5-6,8,14,16H,3-4,7,9-10H2,1-2H3,(H,17,18)
InChIKeyBRKQWKKBEOUCDG-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.06
Rot. Bonds4

About N-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylacetamide

N-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 115160160) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
PubChem CID115160160
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESCc1ccc(C)c(CNC(=O)CC2CCCN2)c1
InChIInChI=1S/C15H22N2O/c1-11-5-6-12(2)13(8-11)10-17-15(18)9-14-4-3-7-16-14/h5-6,8,14,16H,3-4,7,9-10H2,1-2H3,(H,17,18)
InChIKeyBRKQWKKBEOUCDG-UHFFFAOYSA-N
XLogP2.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide
CID 104955056
N-[(4-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119780998
N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119811513
N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119709536
N-[(2,5-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine
CID 115211084
N-[[2-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 61363866
2-(2,5-dimethylphenyl)-N-(2-methylpiperidin-3-yl)acetamide
CID 79041660
N-[2-(2,6-dimethylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119734952
N-[(4-bromo-2-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119753695
N-[3-(4-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide
CID 119757273
(2,5-dimethylphenyl)methylcarbamic acid
CID 67570724
2-(azocan-2-yl)-1-(2,5-dimethylphenyl)ethanone
CID 114239619

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylacetamide (CID 115160160) is N-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylacetamide is Cc1ccc(C)c(CNC(=O)CC2CCCN2)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is BRKQWKKBEOUCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-5-6-12(2)13(8-11)10-17-15(18)9-14-4-3-7-16-14/h5-6,8,14,16H,3-4,7,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylacetamide?
N-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 246.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 115160160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).