2-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone

C18H26N2O4 — CID 132764303

IUPAC2-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1ccc(OCC2(O)CCN(CC(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C18H26N2O4/c1-15-2-4-16(5-3-15)24-14-18(22)6-7-19(13-18)12-17(21)20-8-10-23-11-9-20/h2-5,22H,6-14H2,1H3
InChIKeyOWCUXPYYHNMKAQ-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.67
Rot. Bonds5

About 2-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone

2-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 132764303) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID132764303
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name2-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1ccc(OCC2(O)CCN(CC(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C18H26N2O4/c1-15-2-4-16(5-3-15)24-14-18(22)6-7-19(13-18)12-17(21)20-8-10-23-11-9-20/h2-5,22H,6-14H2,1H3
InChIKeyOWCUXPYYHNMKAQ-UHFFFAOYSA-N
XLogP0.67
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 132764302
2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 132649278
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
1-methyl-3-[(4-methylphenoxy)methyl]pyrrolidin-3-ol
CID 171758962
4-(2-hydroxyethyl)-6-[(4-methylphenoxy)methyl]-1,4-oxazepan-6-ol
CID 132775657
3-[6-hydroxy-6-[(4-methylphenoxy)methyl]-1,4-oxazepan-4-yl]propanamide
CID 132948175
(3S,4S)-1-[(4-hydroxyoxan-4-yl)methyl]-3-[(4-methylphenoxy)methyl]piperidine-3,4-diol
CID 155993826
2-[4-[[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 132778983
[6-hydroxy-6-[(4-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(1-methylimidazol-2-yl)methanone
CID 132764679
2-[4-[(4-chlorophenoxy)methyl]-1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 110080381
2-[4-[(3-ethyl-3-hydroxypiperidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone
CID 77093029
2-[3-hydroxy-3-(phenoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide
CID 132770127

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone (CID 132764303) is 2-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone is Cc1ccc(OCC2(O)CCN(CC(=O)N3CCOCC3)C2)cc1.
What is the InChIKey of 2-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is OWCUXPYYHNMKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-15-2-4-16(5-3-15)24-14-18(22)6-7-19(13-18)12-17(21)20-8-10-23-11-9-20/h2-5,22H,6-14H2,1H3.
What are the key properties of 2-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
2-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 334.42 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 132764303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).