N-(2-methyl-1-phenylmethoxypropan-2-yl)-2-pyridin-4-ylacetamide

C18H22N2O2 — CID 119051213

IUPACN-(2-methyl-1-phenylmethoxypropan-2-yl)-2-pyridin-4-ylacetamide
SMILESCC(C)(COCc1ccccc1)NC(=O)Cc1ccncc1
InChIInChI=1S/C18H22N2O2/c1-18(2,14-22-13-16-6-4-3-5-7-16)20-17(21)12-15-8-10-19-11-9-15/h3-11H,12-14H2,1-2H3,(H,20,21)
InChIKeyFXOQAOBMSJLSCR-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.74
Rot. Bonds7

About N-(2-methyl-1-phenylmethoxypropan-2-yl)-2-pyridin-4-ylacetamide

N-(2-methyl-1-phenylmethoxypropan-2-yl)-2-pyridin-4-ylacetamide (PubChem CID 119051213) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(2-methyl-1-phenylmethoxypropan-2-yl)-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-(2-methyl-1-phenylmethoxypropan-2-yl)-2-pyridin-4-ylacetamide
PubChem CID119051213
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(2-methyl-1-phenylmethoxypropan-2-yl)-2-pyridin-4-ylacetamide
SMILESCC(C)(COCc1ccccc1)NC(=O)Cc1ccncc1
InChIInChI=1S/C18H22N2O2/c1-18(2,14-22-13-16-6-4-3-5-7-16)20-17(21)12-15-8-10-19-11-9-15/h3-11H,12-14H2,1-2H3,(H,20,21)
InChIKeyFXOQAOBMSJLSCR-UHFFFAOYSA-N
XLogP2.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-2-phenylpropan-2-yl)-2-pyridin-4-ylacetamide
CID 105059171
N-(1-bromo-2-methylpropan-2-yl)-2-phenylacetamide
CID 114307896
2-methyl-1-(pyridin-4-ylmethoxy)propan-2-ol
CID 143482158
2,2-dimethyl-3-phenylmethoxypropanoic acid
CID 13478288
[2-[(2-chloroacetyl)amino]-2-methylpropyl] 2-phenylacetate
CID 91568309
N-[2-(2-fluorophenyl)propan-2-yl]-2-pyridin-4-ylacetamide
CID 110468157
2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol
CID 10821802
(2S)-2-amino-2-methyl-3-phenylmethoxypropanoic acid
CID 121267296
2-fluoro-2-(phenylmethoxymethyl)propanedioic acid
CID 67878922
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-phenylacetamide
CID 113354468
1-bromo-3,3-dimethyl-4-phenylmethoxybutan-2-one
CID 134460062
2-(pyridin-4-ylmethoxy)ethylcarbamic acid
CID 69184657

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-phenylmethoxypropan-2-yl)-2-pyridin-4-ylacetamide?
The IUPAC name of N-(2-methyl-1-phenylmethoxypropan-2-yl)-2-pyridin-4-ylacetamide (CID 119051213) is N-(2-methyl-1-phenylmethoxypropan-2-yl)-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-(2-methyl-1-phenylmethoxypropan-2-yl)-2-pyridin-4-ylacetamide?
The canonical SMILES for N-(2-methyl-1-phenylmethoxypropan-2-yl)-2-pyridin-4-ylacetamide is CC(C)(COCc1ccccc1)NC(=O)Cc1ccncc1.
What is the InChIKey of N-(2-methyl-1-phenylmethoxypropan-2-yl)-2-pyridin-4-ylacetamide?
The InChIKey is FXOQAOBMSJLSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-18(2,14-22-13-16-6-4-3-5-7-16)20-17(21)12-15-8-10-19-11-9-15/h3-11H,12-14H2,1-2H3,(H,20,21).
What are the key properties of N-(2-methyl-1-phenylmethoxypropan-2-yl)-2-pyridin-4-ylacetamide?
N-(2-methyl-1-phenylmethoxypropan-2-yl)-2-pyridin-4-ylacetamide has a molecular weight of 298.39 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-phenylmethoxypropan-2-yl)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 119051213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).