2-[[2-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide

C21H29N5O2 — CID 136514673

IUPAC2-[[2-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)CN1CCCC1c1cn(C)nc1C
InChIInChI=1S/C21H29N5O2/c1-4-16-8-5-6-9-18(16)23-20(27)12-22-21(28)14-26-11-7-10-19(26)17-13-25(3)24-15(17)2/h5-6,8-9,13,19H,4,7,10-12,14H2,1-3H3,(H,22,28)(H,23,27)
InChIKeyUOZMBYZVLNQNKU-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.18
Rot. Bonds7

About 2-[[2-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide

2-[[2-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide (PubChem CID 136514673) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-[[2-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide
PubChem CID136514673
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name2-[[2-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)CN1CCCC1c1cn(C)nc1C
InChIInChI=1S/C21H29N5O2/c1-4-16-8-5-6-9-18(16)23-20(27)12-22-21(28)14-26-11-7-10-19(26)17-13-25(3)24-15(17)2/h5-6,8-9,13,19H,4,7,10-12,14H2,1-3H3,(H,22,28)(H,23,27)
InChIKeyUOZMBYZVLNQNKU-UHFFFAOYSA-N
XLogP2.18
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide
CID 8976124
N-(2-ethylphenyl)-2-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]acetamide
CID 94178915
N-(2-bromophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide
CID 8976052
2-[[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 94173202
2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 8540795
2-[[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 120775680
N-(2-ethylphenyl)-2-[[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]amino]acetamide
CID 78818292
N-(2-ethylphenyl)-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]acetamide
CID 8623341
N-(2-ethylphenyl)-2-[[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetyl]amino]acetamide
CID 78899179
tert-butyl 3-[[2-(2-ethylanilino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate
CID 24512754
N-[2-(2-ethylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 43066089
2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 8833543

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[[2-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide (CID 136514673) is 2-[[2-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CNC(=O)CN1CCCC1c1cn(C)nc1C.
What is the InChIKey of 2-[[2-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide?
The InChIKey is UOZMBYZVLNQNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-4-16-8-5-6-9-18(16)23-20(27)12-22-21(28)14-26-11-7-10-19(26)17-13-25(3)24-15(17)2/h5-6,8-9,13,19H,4,7,10-12,14H2,1-3H3,(H,22,28)(H,23,27).
What are the key properties of 2-[[2-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide?
2-[[2-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide has a molecular weight of 383.50 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 136514673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).