1-[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone

C17H26N2O3 — CID 154739384

IUPAC1-[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
SMILESCOc1cccc(C2CC(O)CN2C(=O)CN(C)C(C)C)c1
InChIInChI=1S/C17H26N2O3/c1-12(2)18(3)11-17(21)19-10-14(20)9-16(19)13-6-5-7-15(8-13)22-4/h5-8,12,14,16,20H,9-11H2,1-4H3
InChIKeyCIVMKLZCTJDOKY-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.67
Rot. Bonds5

About 1-[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone

1-[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone (PubChem CID 154739384) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
PubChem CID154739384
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
SMILESCOc1cccc(C2CC(O)CN2C(=O)CN(C)C(C)C)c1
InChIInChI=1S/C17H26N2O3/c1-12(2)18(3)11-17(21)19-10-14(20)9-16(19)13-6-5-7-15(8-13)22-4/h5-8,12,14,16,20H,9-11H2,1-4H3
InChIKeyCIVMKLZCTJDOKY-UHFFFAOYSA-N
XLogP1.67
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-difluoro-1-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 129350070
1-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(5-methoxy-2-pyridinyl)ethanone
CID 129350000
1-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(6-methoxy-2-pyridinyl)ethanone
CID 129350063
2-(3-fluorophenyl)-1-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 129481625
2-(3-fluorophenyl)-1-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 129481623
1-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 129481460
2-(2,5-difluorophenyl)-1-[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 128965980
2-(2,4-difluorophenyl)-1-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 100739983
4-[2-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzonitrile
CID 129481477
1-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(3-methyl-4-pyridinyl)ethanone
CID 129481517
[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 129481486
[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 128965922

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone?
The IUPAC name of 1-[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone (CID 154739384) is 1-[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone.
What is the SMILES notation for 1-[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone?
The canonical SMILES for 1-[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone is COc1cccc(C2CC(O)CN2C(=O)CN(C)C(C)C)c1.
What is the InChIKey of 1-[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone?
The InChIKey is CIVMKLZCTJDOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(2)18(3)11-17(21)19-10-14(20)9-16(19)13-6-5-7-15(8-13)22-4/h5-8,12,14,16,20H,9-11H2,1-4H3.
What are the key properties of 1-[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone?
1-[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone has a molecular weight of 306.41 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone is sourced from PubChem (CID 154739384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).