2-[(2-methylpropan-2-yl)oxy]-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-phenylacetamide

C18H25N3O2 — CID 75388297

IUPAC2-[(2-methylpropan-2-yl)oxy]-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-phenylacetamide
SMILESCC(NC(=O)C(OC(C)(C)C)c1ccccc1)c1cnn(C)c1
InChIInChI=1S/C18H25N3O2/c1-13(15-11-19-21(5)12-15)20-17(22)16(23-18(2,3)4)14-9-7-6-8-10-14/h6-13,16H,1-5H3,(H,20,22)
InChIKeyWHKMWOHGIWMRFB-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.15
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxy]-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-phenylacetamide

2-[(2-methylpropan-2-yl)oxy]-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-phenylacetamide (PubChem CID 75388297) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-phenylacetamide
PubChem CID75388297
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-phenylacetamide
SMILESCC(NC(=O)C(OC(C)(C)C)c1ccccc1)c1cnn(C)c1
InChIInChI=1S/C18H25N3O2/c1-13(15-11-19-21(5)12-15)20-17(22)16(23-18(2,3)4)14-9-7-6-8-10-14/h6-13,16H,1-5H3,(H,20,22)
InChIKeyWHKMWOHGIWMRFB-UHFFFAOYSA-N
XLogP3.15
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methylpropan-2-yl)oxy]-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S*,4R*,6R*)-2-(1-allyl-1H-pyrazol-4-yl)-6-(3,5-difluorophenyl)tetrahydro-2H-pyran-4-yl]acetamide
CID 50949848
N-[(2S*,4R*,6S*)-2-(1-allyl-3-methyl-1H-pyrazol-4-yl)-6-ethyltetrahydro-2H-pyran-4-yl]benzamide
CID 50951035
N-[(2R,4R,6S)-2-propan-2-yl-6-[4-(pyrazol-1-ylmethyl)phenyl]oxan-4-yl]acetamide
CID 50974702
N-[2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 71875400
1-methyl-N-[2-(4-methylphenyl)oxan-3-yl]pyrazole-4-carboxamide
CID 71983757
1-(3,5-Dimethyl-2-phenylmorpholin-4-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 72019119
2-methoxy-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide
CID 77078665
(2R)-2-methoxy-N-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 86785495
(2R)-1-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-2-methoxy-2-phenylethanone
CID 91660246
N-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoro-1-phenylethoxy)acetamide
CID 91770290
(2R)-N-[[4-(difluoromethyl)-1-methylpyrazol-3-yl]methyl]-2-phenyloxolane-2-carboxamide
CID 164637759
2-(4-fluorophenyl)-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]acetamide
CID 164640395

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-phenylacetamide?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-phenylacetamide (CID 75388297) is 2-[(2-methylpropan-2-yl)oxy]-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-phenylacetamide.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-phenylacetamide?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-phenylacetamide is CC(NC(=O)C(OC(C)(C)C)c1ccccc1)c1cnn(C)c1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-phenylacetamide?
The InChIKey is WHKMWOHGIWMRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(15-11-19-21(5)12-15)20-17(22)16(23-18(2,3)4)14-9-7-6-8-10-14/h6-13,16H,1-5H3,(H,20,22).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-phenylacetamide?
2-[(2-methylpropan-2-yl)oxy]-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-phenylacetamide has a molecular weight of 315.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 75388297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).