2-[(2-methylpropan-2-yl)oxy]-N-[(1-methylpyrrol-3-yl)methyl]acetamide

C12H20N2O2 — CID 103943197

IUPAC2-[(2-methylpropan-2-yl)oxy]-N-[(1-methylpyrrol-3-yl)methyl]acetamide
SMILESCn1ccc(CNC(=O)COC(C)(C)C)c1
InChIInChI=1S/C12H20N2O2/c1-12(2,3)16-9-11(15)13-7-10-5-6-14(4)8-10/h5-6,8H,7,9H2,1-4H3,(H,13,15)
InChIKeySLSQUKNWRVVVLV-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.46
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxy]-N-[(1-methylpyrrol-3-yl)methyl]acetamide

2-[(2-methylpropan-2-yl)oxy]-N-[(1-methylpyrrol-3-yl)methyl]acetamide (PubChem CID 103943197) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-N-[(1-methylpyrrol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-N-[(1-methylpyrrol-3-yl)methyl]acetamide
PubChem CID103943197
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-N-[(1-methylpyrrol-3-yl)methyl]acetamide
SMILESCn1ccc(CNC(=O)COC(C)(C)C)c1
InChIInChI=1S/C12H20N2O2/c1-12(2,3)16-9-11(15)13-7-10-5-6-14(4)8-10/h5-6,8H,7,9H2,1-4H3,(H,13,15)
InChIKeySLSQUKNWRVVVLV-UHFFFAOYSA-N
XLogP1.46
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide
CID 110782535
2-(2-methoxyethoxy)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103721962
2-hydroxy-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide
CID 106509800
2-amino-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide
CID 83621902
N-[(1-methylpyrrol-3-yl)methyl]pentanamide
CID 110782459
N-[(4-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604876
N-[(1-methylpyrrol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103722342
2-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 110782492
2-[(2-methylpropan-2-yl)oxy]-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 112605367
(2R)-2-amino-3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide
CID 106390787
4-amino-N-[(1-methylpyrrol-3-yl)methyl]pentanamide
CID 106813362
2-(azetidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103814673

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-[(1-methylpyrrol-3-yl)methyl]acetamide?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-[(1-methylpyrrol-3-yl)methyl]acetamide (CID 103943197) is 2-[(2-methylpropan-2-yl)oxy]-N-[(1-methylpyrrol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-N-[(1-methylpyrrol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-N-[(1-methylpyrrol-3-yl)methyl]acetamide is Cn1ccc(CNC(=O)COC(C)(C)C)c1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-N-[(1-methylpyrrol-3-yl)methyl]acetamide?
The InChIKey is SLSQUKNWRVVVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-12(2,3)16-9-11(15)13-7-10-5-6-14(4)8-10/h5-6,8H,7,9H2,1-4H3,(H,13,15).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-N-[(1-methylpyrrol-3-yl)methyl]acetamide?
2-[(2-methylpropan-2-yl)oxy]-N-[(1-methylpyrrol-3-yl)methyl]acetamide has a molecular weight of 224.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-N-[(1-methylpyrrol-3-yl)methyl]acetamide is sourced from PubChem (CID 103943197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).