1-[2-hydroxy-3-[methyl-(2-methyl-1-phenylpropyl)amino]propyl]pyrrolidin-2-one

C18H28N2O2 — CID 111122268

IUPAC1-[2-hydroxy-3-[methyl-(2-methyl-1-phenylpropyl)amino]propyl]pyrrolidin-2-one
SMILESCC(C)C(c1ccccc1)N(C)CC(O)CN1CCCC1=O
InChIInChI=1S/C18H28N2O2/c1-14(2)18(15-8-5-4-6-9-15)19(3)12-16(21)13-20-11-7-10-17(20)22/h4-6,8-9,14,16,18,21H,7,10-13H2,1-3H3
InChIKeyLZVQJXSZZKOTEK-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.30
Rot. Bonds7

About 1-[2-hydroxy-3-[methyl-(2-methyl-1-phenylpropyl)amino]propyl]pyrrolidin-2-one

1-[2-hydroxy-3-[methyl-(2-methyl-1-phenylpropyl)amino]propyl]pyrrolidin-2-one (PubChem CID 111122268) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[2-hydroxy-3-[methyl-(2-methyl-1-phenylpropyl)amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-[methyl-(2-methyl-1-phenylpropyl)amino]propyl]pyrrolidin-2-one
PubChem CID111122268
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[2-hydroxy-3-[methyl-(2-methyl-1-phenylpropyl)amino]propyl]pyrrolidin-2-one
SMILESCC(C)C(c1ccccc1)N(C)CC(O)CN1CCCC1=O
InChIInChI=1S/C18H28N2O2/c1-14(2)18(15-8-5-4-6-9-15)19(3)12-16(21)13-20-11-7-10-17(20)22/h4-6,8-9,14,16,18,21H,7,10-13H2,1-3H3
InChIKeyLZVQJXSZZKOTEK-UHFFFAOYSA-N
XLogP2.30
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-hydroxy-3-[(3-hydroxy-1-phenylpropyl)-methylamino]propyl]pyrrolidin-2-one
CID 111489131
1-[3-[cyclopropylmethyl(1-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116491
1-[3-[ethyl(2-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116400
1-[(2S)-3-benzylsulfonyl-2-hydroxypropyl]pyrrolidin-2-one
CID 1478646
1-[3-(benzylamino)-2-hydroxypropyl]pyrrolidin-2-one
CID 10957051
1-[3-[1-benzothiophen-3-ylmethyl(methyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116380
1-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]piperidin-2-one
CID 139437746
1-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111799224
1-[3-(4-benzylidenepiperidin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 111799526
1-[2-hydroxy-3-[methyl-[(5-methylthiophen-2-yl)methyl]amino]propyl]pyrrolidin-2-one
CID 111116556
1-(3-carbazol-9-yl-2-hydroxypropyl)pyrrolidin-2-one
CID 118415489
1-[3-[ethyl-[(3-fluorophenyl)methyl]amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116350

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-[methyl-(2-methyl-1-phenylpropyl)amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-hydroxy-3-[methyl-(2-methyl-1-phenylpropyl)amino]propyl]pyrrolidin-2-one (CID 111122268) is 1-[2-hydroxy-3-[methyl-(2-methyl-1-phenylpropyl)amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-hydroxy-3-[methyl-(2-methyl-1-phenylpropyl)amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-hydroxy-3-[methyl-(2-methyl-1-phenylpropyl)amino]propyl]pyrrolidin-2-one is CC(C)C(c1ccccc1)N(C)CC(O)CN1CCCC1=O.
What is the InChIKey of 1-[2-hydroxy-3-[methyl-(2-methyl-1-phenylpropyl)amino]propyl]pyrrolidin-2-one?
The InChIKey is LZVQJXSZZKOTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(2)18(15-8-5-4-6-9-15)19(3)12-16(21)13-20-11-7-10-17(20)22/h4-6,8-9,14,16,18,21H,7,10-13H2,1-3H3.
What are the key properties of 1-[2-hydroxy-3-[methyl-(2-methyl-1-phenylpropyl)amino]propyl]pyrrolidin-2-one?
1-[2-hydroxy-3-[methyl-(2-methyl-1-phenylpropyl)amino]propyl]pyrrolidin-2-one has a molecular weight of 304.43 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-[methyl-(2-methyl-1-phenylpropyl)amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 111122268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).