1-[3-[ethyl(2-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one

C17H26N2O2 — CID 111116400

IUPAC1-[3-[ethyl(2-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
SMILESCCN(CCc1ccccc1)CC(O)CN1CCCC1=O
InChIInChI=1S/C17H26N2O2/c1-2-18(12-10-15-7-4-3-5-8-15)13-16(20)14-19-11-6-9-17(19)21/h3-5,7-8,16,20H,2,6,9-14H2,1H3
InChIKeyGWYVSUMJBSXQAU-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.53
Rot. Bonds8

About 1-[3-[ethyl(2-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one

1-[3-[ethyl(2-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one (PubChem CID 111116400) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[3-[ethyl(2-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[ethyl(2-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
PubChem CID111116400
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[3-[ethyl(2-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
SMILESCCN(CCc1ccccc1)CC(O)CN1CCCC1=O
InChIInChI=1S/C17H26N2O2/c1-2-18(12-10-15-7-4-3-5-8-15)13-16(20)14-19-11-6-9-17(19)21/h3-5,7-8,16,20H,2,6,9-14H2,1H3
InChIKeyGWYVSUMJBSXQAU-UHFFFAOYSA-N
XLogP1.53
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[ethyl-[(3-fluorophenyl)methyl]amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116350
1-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111799224
1-[3-[2,2-difluoroethyl(propyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116498
1-[2-hydroxy-3-[methyl-(2-methyl-1-phenylpropyl)amino]propyl]pyrrolidin-2-one
CID 111122268
1-[3-(benzylamino)-2-hydroxypropyl]pyrrolidin-2-one
CID 10957051
1-[(2S)-3-benzylsulfonyl-2-hydroxypropyl]pyrrolidin-2-one
CID 1478646
1-[2-hydroxy-3-[(3-hydroxy-1-phenylpropyl)-methylamino]propyl]pyrrolidin-2-one
CID 111489131
1-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116377
1-[3-[cyclopropylmethyl(1-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116491
1-[2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]pyrrolidin-2-one
CID 124754856
1-[3-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-hydroxypropyl]pyrrolidin-2-one
CID 111116576
1-[(2S)-2-hydroxy-3-[(4-phenylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 95590635

Frequently Asked Questions

What is the IUPAC name of 1-[3-[ethyl(2-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[ethyl(2-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one (CID 111116400) is 1-[3-[ethyl(2-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[ethyl(2-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[ethyl(2-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one is CCN(CCc1ccccc1)CC(O)CN1CCCC1=O.
What is the InChIKey of 1-[3-[ethyl(2-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one?
The InChIKey is GWYVSUMJBSXQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-18(12-10-15-7-4-3-5-8-15)13-16(20)14-19-11-6-9-17(19)21/h3-5,7-8,16,20H,2,6,9-14H2,1H3.
What are the key properties of 1-[3-[ethyl(2-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one?
1-[3-[ethyl(2-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one has a molecular weight of 290.41 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[ethyl(2-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 111116400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).