2-[(4R)-2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide

C21H29N3O2 — CID 125178570

IUPAC2-[(4R)-2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide
SMILESCc1ccccc1[C@]1(CC(=O)NCCc2ccn[nH]2)CCOC(C)(C)C1
InChIInChI=1S/C21H29N3O2/c1-16-6-4-5-7-18(16)21(10-13-26-20(2,3)15-21)14-19(25)22-11-8-17-9-12-23-24-17/h4-7,9,12H,8,10-11,13-15H2,1-3H3,(H,22,25)(H,23,24)/t21-/m0/s1
InChIKeyWGBBGWFJMQKUPO-NRFANRHFSA-N
MW355.48 g/mol
LogP3.29
Rot. Bonds6

About 2-[(4R)-2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide

2-[(4R)-2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide (PubChem CID 125178570) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-[(4R)-2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4R)-2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide
PubChem CID125178570
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name2-[(4R)-2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide
SMILESCc1ccccc1[C@]1(CC(=O)NCCc2ccn[nH]2)CCOC(C)(C)C1
InChIInChI=1S/C21H29N3O2/c1-16-6-4-5-7-18(16)21(10-13-26-20(2,3)15-21)14-19(25)22-11-8-17-9-12-23-24-17/h4-7,9,12H,8,10-11,13-15H2,1-3H3,(H,22,25)(H,23,24)/t21-/m0/s1
InChIKeyWGBBGWFJMQKUPO-NRFANRHFSA-N
XLogP3.29
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4R)-2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide with MolForge

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Related Compounds

ethyl 4-(2-phenylethyl)-1-(1H-pyrazol-3-ylmethyl)piperidine-4-carboxylate
CID 16188923
1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
CID 75461943
2-[(4S)-2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 125175710
ethyl 1-(1H-pyrazol-5-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate
CID 42458208
[4-(4-fluorophenyl)oxan-4-yl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56755490
N-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-[5-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]acetamide
CID 71705328
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-propyl-1H-pyrazole-4-carboxamide
CID 86797933
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide
CID 91840959
[4-(4-fluorophenyl)oxan-4-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95220708
[4-(4-fluorophenyl)oxan-4-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95220709
N-[(4R)-2,2-dimethyloxan-4-yl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 97265213
N-[(4S)-2,2-dimethyloxan-4-yl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 97265214

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-[(4R)-2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide (CID 125178570) is 2-[(4R)-2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(4R)-2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-[(4R)-2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide is Cc1ccccc1[C@]1(CC(=O)NCCc2ccn[nH]2)CCOC(C)(C)C1.
What is the InChIKey of 2-[(4R)-2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide?
The InChIKey is WGBBGWFJMQKUPO-NRFANRHFSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-16-6-4-5-7-18(16)21(10-13-26-20(2,3)15-21)14-19(25)22-11-8-17-9-12-23-24-17/h4-7,9,12H,8,10-11,13-15H2,1-3H3,(H,22,25)(H,23,24)/t21-/m0/s1.
What are the key properties of 2-[(4R)-2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide?
2-[(4R)-2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide has a molecular weight of 355.48 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 125178570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).