2-hydroxy-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide

C12H20N2O2 — CID 115179044

IUPAC2-hydroxy-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide
SMILESCC(C)(O)C(=O)NCC(C)(C)c1cc[nH]c1
InChIInChI=1S/C12H20N2O2/c1-11(2,9-5-6-13-7-9)8-14-10(15)12(3,4)16/h5-7,13,16H,8H2,1-4H3,(H,14,15)
InChIKeyRYQCOEKPICUOAA-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.18
Rot. Bonds4

About 2-hydroxy-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide

2-hydroxy-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide (PubChem CID 115179044) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide.

Molecular Properties

Compound Name2-hydroxy-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide
PubChem CID115179044
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-hydroxy-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide
SMILESCC(C)(O)C(=O)NCC(C)(C)c1cc[nH]c1
InChIInChI=1S/C12H20N2O2/c1-11(2,9-5-6-13-7-9)8-14-10(15)12(3,4)16/h5-7,13,16H,8H2,1-4H3,(H,14,15)
InChIKeyRYQCOEKPICUOAA-UHFFFAOYSA-N
XLogP1.18
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]-4-oxobutanoic acid
CID 115164919
2-hydroxy-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide
CID 115179031
2-(hydroxymethyl)-3-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
CID 115187443
2-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]carbamoyl]butanoic acid
CID 115186116
3-amino-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide
CID 115153925
4-(methylamino)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
CID 115155852
3-amino-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]cyclobutane-1-carboxamide
CID 115161762
3-methyl-2-(methylaminomethyl)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
CID 115187811
[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methanol
CID 115229652
2,2-dimethyl-4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]butanoic acid
CID 115221241
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-hydroxy-2-methylpropanamide
CID 115179051
1-N,2-dimethyl-2-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propane-1,2-diamine
CID 115133067

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide?
The IUPAC name of 2-hydroxy-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide (CID 115179044) is 2-hydroxy-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide.
What is the SMILES notation for 2-hydroxy-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide?
The canonical SMILES for 2-hydroxy-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide is CC(C)(O)C(=O)NCC(C)(C)c1cc[nH]c1.
What is the InChIKey of 2-hydroxy-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide?
The InChIKey is RYQCOEKPICUOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-11(2,9-5-6-13-7-9)8-14-10(15)12(3,4)16/h5-7,13,16H,8H2,1-4H3,(H,14,15).
What are the key properties of 2-hydroxy-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide?
2-hydroxy-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide has a molecular weight of 224.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide is sourced from PubChem (CID 115179044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).