2-(2,5-dimethylphenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide

C16H24N2O — CID 104955056

IUPAC2-(2,5-dimethylphenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide
SMILESCc1ccc(C)c(CC(=O)NCC[C@@H]2CCCN2)c1
InChIInChI=1S/C16H24N2O/c1-12-5-6-13(2)14(10-12)11-16(19)18-9-7-15-4-3-8-17-15/h5-6,10,15,17H,3-4,7-9,11H2,1-2H3,(H,18,19)/t15-/m0/s1
InChIKeyJRVUGCWOSKATPF-HNNXBMFYSA-N
MW260.38 g/mol
LogP2.10
Rot. Bonds5

About 2-(2,5-dimethylphenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide

2-(2,5-dimethylphenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide (PubChem CID 104955056) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide
PubChem CID104955056
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(2,5-dimethylphenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide
SMILESCc1ccc(C)c(CC(=O)NCC[C@@H]2CCCN2)c1
InChIInChI=1S/C16H24N2O/c1-12-5-6-13(2)14(10-12)11-16(19)18-9-7-15-4-3-8-17-15/h5-6,10,15,17H,3-4,7-9,11H2,1-2H3,(H,18,19)/t15-/m0/s1
InChIKeyJRVUGCWOSKATPF-HNNXBMFYSA-N
XLogP2.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793749
N-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 115160160
2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 62538178
N-[(2,5-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine
CID 115211084
2-hydroxy-5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972264
2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971649
3-(3-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propanamide
CID 104971869
2-(2,5-dimethylphenyl)-N-(2-methylpiperidin-3-yl)acetamide
CID 79041660
3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793684
5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793819
2-(4-fluorophenyl)-N-(2-piperidin-2-ylethyl)acetamide
CID 24704522
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955188

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide (CID 104955056) is 2-(2,5-dimethylphenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide is Cc1ccc(C)c(CC(=O)NCC[C@@H]2CCCN2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide?
The InChIKey is JRVUGCWOSKATPF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-5-6-13(2)14(10-12)11-16(19)18-9-7-15-4-3-8-17-15/h5-6,10,15,17H,3-4,7-9,11H2,1-2H3,(H,18,19)/t15-/m0/s1.
What are the key properties of 2-(2,5-dimethylphenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide?
2-(2,5-dimethylphenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide has a molecular weight of 260.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 104955056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).