2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide

C19H29N3O2 — CID 86952077

IUPAC2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCc1cc(C)cc(C2CCCN2CC(=O)NC(=O)NCC(C)C)c1
InChIInChI=1S/C19H29N3O2/c1-13(2)11-20-19(24)21-18(23)12-22-7-5-6-17(22)16-9-14(3)8-15(4)10-16/h8-10,13,17H,5-7,11-12H2,1-4H3,(H2,20,21,23,24)
InChIKeyYPMOVZUNKQTFLQ-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.92
Rot. Bonds5

About 2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide

2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 86952077) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID86952077
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCc1cc(C)cc(C2CCCN2CC(=O)NC(=O)NCC(C)C)c1
InChIInChI=1S/C19H29N3O2/c1-13(2)11-20-19(24)21-18(23)12-22-7-5-6-17(22)16-9-14(3)8-15(4)10-16/h8-10,13,17H,5-7,11-12H2,1-4H3,(H2,20,21,23,24)
InChIKeyYPMOVZUNKQTFLQ-UHFFFAOYSA-N
XLogP2.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 62469419
N-(2-methylpropyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95346557
ethyl 4-[[2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]acetyl]amino]butanoate
CID 86952132
2-(2-phenylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide
CID 18137773
2-[(2R)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 96549122
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 102788347
2-(3-methylpiperidin-1-yl)-N-(2-methylpropylcarbamoyl)acetamide
CID 51170637
2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 86952049
N-(ethylcarbamoyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 41415749
2-(3,5-dimethylanilino)-N-(2-methylpropylcarbamoyl)acetamide
CID 47107205
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 8833361
2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 9402588

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide (CID 86952077) is 2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide is Cc1cc(C)cc(C2CCCN2CC(=O)NC(=O)NCC(C)C)c1.
What is the InChIKey of 2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is YPMOVZUNKQTFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-13(2)11-20-19(24)21-18(23)12-22-7-5-6-17(22)16-9-14(3)8-15(4)10-16/h8-10,13,17H,5-7,11-12H2,1-4H3,(H2,20,21,23,24).
What are the key properties of 2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 331.46 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 86952077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).