1-[2-hydroxy-2-(4-propoxyphenyl)ethyl]-3-methylimidazolidin-2-one

C15H22N2O3 — CID 62492041

IUPAC1-[2-hydroxy-2-(4-propoxyphenyl)ethyl]-3-methylimidazolidin-2-one
SMILESCCCOc1ccc(C(O)CN2CCN(C)C2=O)cc1
InChIInChI=1S/C15H22N2O3/c1-3-10-20-13-6-4-12(5-7-13)14(18)11-17-9-8-16(2)15(17)19/h4-7,14,18H,3,8-11H2,1-2H3
InChIKeyIXJTULQQCZKVNN-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.88
Rot. Bonds6

About 1-[2-hydroxy-2-(4-propoxyphenyl)ethyl]-3-methylimidazolidin-2-one

1-[2-hydroxy-2-(4-propoxyphenyl)ethyl]-3-methylimidazolidin-2-one (PubChem CID 62492041) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(4-propoxyphenyl)ethyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-2-(4-propoxyphenyl)ethyl]-3-methylimidazolidin-2-one
PubChem CID62492041
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[2-hydroxy-2-(4-propoxyphenyl)ethyl]-3-methylimidazolidin-2-one
SMILESCCCOc1ccc(C(O)CN2CCN(C)C2=O)cc1
InChIInChI=1S/C15H22N2O3/c1-3-10-20-13-6-4-12(5-7-13)14(18)11-17-9-8-16(2)15(17)19/h4-7,14,18H,3,8-11H2,1-2H3
InChIKeyIXJTULQQCZKVNN-UHFFFAOYSA-N
XLogP1.88
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-2-(4-propoxyphenyl)ethyl]-3-methylimidazolidin-2-one
CID 62489955
2-chloro-1-(4-propoxyphenyl)ethanol
CID 83001734
4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethoxy]benzenecarbothioamide
CID 62489959
2-(methylamino)-1-(4-propoxyphenyl)ethanol
CID 62772547
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438
3-cyclopropyl-1-(4-propoxyphenyl)propan-1-ol
CID 106590416
(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol
CID 78933445
1-(4-propoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105095079
3-(2-ethylpiperidin-1-yl)-1-(4-propoxyphenyl)propan-1-ol
CID 82073755
1-[2-amino-2-(4-propoxyphenyl)ethyl]piperidin-2-one
CID 43212279
3-[4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethoxy]phenyl]prop-2-enoic acid
CID 76944821

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(4-propoxyphenyl)ethyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[2-hydroxy-2-(4-propoxyphenyl)ethyl]-3-methylimidazolidin-2-one (CID 62492041) is 1-[2-hydroxy-2-(4-propoxyphenyl)ethyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[2-hydroxy-2-(4-propoxyphenyl)ethyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[2-hydroxy-2-(4-propoxyphenyl)ethyl]-3-methylimidazolidin-2-one is CCCOc1ccc(C(O)CN2CCN(C)C2=O)cc1.
What is the InChIKey of 1-[2-hydroxy-2-(4-propoxyphenyl)ethyl]-3-methylimidazolidin-2-one?
The InChIKey is IXJTULQQCZKVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-10-20-13-6-4-12(5-7-13)14(18)11-17-9-8-16(2)15(17)19/h4-7,14,18H,3,8-11H2,1-2H3.
What are the key properties of 1-[2-hydroxy-2-(4-propoxyphenyl)ethyl]-3-methylimidazolidin-2-one?
1-[2-hydroxy-2-(4-propoxyphenyl)ethyl]-3-methylimidazolidin-2-one has a molecular weight of 278.35 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(4-propoxyphenyl)ethyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 62492041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).