N-(2-methyl-6-propan-2-ylphenyl)-2-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]acetamide

C19H28N4O — CID 95127365

IUPACN-(2-methyl-6-propan-2-ylphenyl)-2-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]acetamide
SMILESCc1cc(C[C@H](C)NCC(=O)Nc2c(C)cccc2C(C)C)n[nH]1
InChIInChI=1S/C19H28N4O/c1-12(2)17-8-6-7-13(3)19(17)21-18(24)11-20-14(4)9-16-10-15(5)22-23-16/h6-8,10,12,14,20H,9,11H2,1-5H3,(H,21,24)(H,22,23)/t14-/m0/s1
InChIKeyAYMLBNQABINBKO-AWEZNQCLSA-N
MW328.46 g/mol
LogP3.31
Rot. Bonds7

About N-(2-methyl-6-propan-2-ylphenyl)-2-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]acetamide

N-(2-methyl-6-propan-2-ylphenyl)-2-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]acetamide (PubChem CID 95127365) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-2-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-2-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]acetamide
PubChem CID95127365
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-2-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]acetamide
SMILESCc1cc(C[C@H](C)NCC(=O)Nc2c(C)cccc2C(C)C)n[nH]1
InChIInChI=1S/C19H28N4O/c1-12(2)17-8-6-7-13(3)19(17)21-18(24)11-20-14(4)9-16-10-15(5)22-23-16/h6-8,10,12,14,20H,9,11H2,1-5H3,(H,21,24)(H,22,23)/t14-/m0/s1
InChIKeyAYMLBNQABINBKO-AWEZNQCLSA-N
XLogP3.31
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
1-(2,3-dimethylphenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 124594257
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
N-(2,3-dimethylphenyl)-N'-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]propanediamide
CID 131924683
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 9133481
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2379218
N-(3-acetamidophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108954586
2-(4-acetylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8904334
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8918453
2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)acetamide
CID 21430532
N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 60648439

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]acetamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]acetamide (CID 95127365) is N-(2-methyl-6-propan-2-ylphenyl)-2-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]acetamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-2-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]acetamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-2-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]acetamide is Cc1cc(C[C@H](C)NCC(=O)Nc2c(C)cccc2C(C)C)n[nH]1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-2-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]acetamide?
The InChIKey is AYMLBNQABINBKO-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H28N4O/c1-12(2)17-8-6-7-13(3)19(17)21-18(24)11-20-14(4)9-16-10-15(5)22-23-16/h6-8,10,12,14,20H,9,11H2,1-5H3,(H,21,24)(H,22,23)/t14-/m0/s1.
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-2-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]acetamide?
N-(2-methyl-6-propan-2-ylphenyl)-2-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]acetamide has a molecular weight of 328.46 g/mol, XLogP of 3.31, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-2-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]acetamide is sourced from PubChem (CID 95127365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).