[1-[(2-methylpropan-2-yl)oxymethyl]-4-propan-2-ylpyrrolidin-3-yl]-phenylmethanone

C19H29NO2 — CID 143614597

IUPAC[1-[(2-methylpropan-2-yl)oxymethyl]-4-propan-2-ylpyrrolidin-3-yl]-phenylmethanone
SMILESCC(C)C1CN(COC(C)(C)C)CC1C(=O)c1ccccc1
InChIInChI=1S/C19H29NO2/c1-14(2)16-11-20(13-22-19(3,4)5)12-17(16)18(21)15-9-7-6-8-10-15/h6-10,14,16-17H,11-13H2,1-5H3
InChIKeyZRFFXTHXRQJEMV-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.85
Rot. Bonds5

About [1-[(2-methylpropan-2-yl)oxymethyl]-4-propan-2-ylpyrrolidin-3-yl]-phenylmethanone

[1-[(2-methylpropan-2-yl)oxymethyl]-4-propan-2-ylpyrrolidin-3-yl]-phenylmethanone (PubChem CID 143614597) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is [1-[(2-methylpropan-2-yl)oxymethyl]-4-propan-2-ylpyrrolidin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[(2-methylpropan-2-yl)oxymethyl]-4-propan-2-ylpyrrolidin-3-yl]-phenylmethanone
PubChem CID143614597
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name[1-[(2-methylpropan-2-yl)oxymethyl]-4-propan-2-ylpyrrolidin-3-yl]-phenylmethanone
SMILESCC(C)C1CN(COC(C)(C)C)CC1C(=O)c1ccccc1
InChIInChI=1S/C19H29NO2/c1-14(2)16-11-20(13-22-19(3,4)5)12-17(16)18(21)15-9-7-6-8-10-15/h6-10,14,16-17H,11-13H2,1-5H3
InChIKeyZRFFXTHXRQJEMV-UHFFFAOYSA-N
XLogP3.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-[(2-methylpropan-2-yl)oxymethyl]-4-propan-2-ylpyrrolidin-3-yl]-phenylmethanone 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

tert-butyl 3-benzoyl-4-propan-2-ylpyrrolidine-1-carboxylate
CID 66677848
(3S,4R)-1-benzyl-4-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride
CID 67998457
[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-phenylmethanone
CID 69456850
ethyl 1-benzyl-4-propan-2-ylpyrrolidine-3-carboxylate
CID 57304770
trans-tert-butyl (1S,2S)-2-benzoylcyclopropane-1-carboxylate
CID 12996560
(4-benzoyl-1-methylpyrrolidin-3-yl)-phenylmethanone
CID 4269490
1-benzyl-N-cyclopropyl-4-propan-2-ylpyrrolidine-3-carboxamide
CID 155963829
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
[5-benzoyl-1-[(2S)-1-hydroxypropan-2-yl]-4-phenylpiperidin-3-yl]-phenylmethanone
CID 16725782
[(3S,5S)-5-benzoyl-1-benzyl-4-phenylpiperidin-3-yl]-phenylmethanone
CID 40951113
[(5S)-5-benzoyl-1-[2-(dimethylamino)ethyl]-4-phenylpiperidin-3-yl]-phenylmethanone
CID 90821158
[(3S,4S)-4-benzoyl-1-phenylpyrrolidin-3-yl]-phenylmethanone
CID 1481130

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methylpropan-2-yl)oxymethyl]-4-propan-2-ylpyrrolidin-3-yl]-phenylmethanone?
The IUPAC name of [1-[(2-methylpropan-2-yl)oxymethyl]-4-propan-2-ylpyrrolidin-3-yl]-phenylmethanone (CID 143614597) is [1-[(2-methylpropan-2-yl)oxymethyl]-4-propan-2-ylpyrrolidin-3-yl]-phenylmethanone.
What is the SMILES notation for [1-[(2-methylpropan-2-yl)oxymethyl]-4-propan-2-ylpyrrolidin-3-yl]-phenylmethanone?
The canonical SMILES for [1-[(2-methylpropan-2-yl)oxymethyl]-4-propan-2-ylpyrrolidin-3-yl]-phenylmethanone is CC(C)C1CN(COC(C)(C)C)CC1C(=O)c1ccccc1.
What is the InChIKey of [1-[(2-methylpropan-2-yl)oxymethyl]-4-propan-2-ylpyrrolidin-3-yl]-phenylmethanone?
The InChIKey is ZRFFXTHXRQJEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-14(2)16-11-20(13-22-19(3,4)5)12-17(16)18(21)15-9-7-6-8-10-15/h6-10,14,16-17H,11-13H2,1-5H3.
What are the key properties of [1-[(2-methylpropan-2-yl)oxymethyl]-4-propan-2-ylpyrrolidin-3-yl]-phenylmethanone?
[1-[(2-methylpropan-2-yl)oxymethyl]-4-propan-2-ylpyrrolidin-3-yl]-phenylmethanone has a molecular weight of 303.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methylpropan-2-yl)oxymethyl]-4-propan-2-ylpyrrolidin-3-yl]-phenylmethanone is sourced from PubChem (CID 143614597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).