2-[2-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone

C29H33N3O3 — CID 4689898

IUPAC2-[2-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone
SMILESO=C(COc1ccccc1C1N(Cc2ccccc2)CCN1Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C29H33N3O3/c33-28(30-17-19-34-20-18-30)23-35-27-14-8-7-13-26(27)29-31(21-24-9-3-1-4-10-24)15-16-32(29)22-25-11-5-2-6-12-25/h1-14,29H,15-23H2
InChIKeyXXPZAMOZRMCLQK-UHFFFAOYSA-N
MW471.60 g/mol
LogP3.94
Rot. Bonds8

About 2-[2-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone

2-[2-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone (PubChem CID 4689898) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is 2-[2-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone
PubChem CID4689898
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC Name2-[2-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone
SMILESO=C(COc1ccccc1C1N(Cc2ccccc2)CCN1Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C29H33N3O3/c33-28(30-17-19-34-20-18-30)23-35-27-14-8-7-13-26(27)29-31(21-24-9-3-1-4-10-24)15-16-32(29)22-25-11-5-2-6-12-25/h1-14,29H,15-23H2
InChIKeyXXPZAMOZRMCLQK-UHFFFAOYSA-N
XLogP3.94
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone
CID 2892548
2-(2-bromophenoxy)-1-morpholin-4-ylethanone
CID 725441
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
2-chloro-6-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 78975266
1,3-dibenzyl-2-[2-[(4-chlorophenyl)methoxy]phenyl]imidazolidine
CID 3953341
3-(2-morpholin-4-yl-2-oxoethoxy)pyridine-2-carboxylic acid
CID 61380057
2-[2-(aminomethyl)-3-fluorophenoxy]-1-morpholin-4-ylethanone
CID 43609224
2-amino-3-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 79778699
(2-morpholin-4-yl-2-oxoethyl) 2-phenylmethoxybenzoate
CID 2365991
2-[2-[(1R)-1-hydroxypropyl]phenoxy]-1-morpholin-4-ylethanone
CID 78930986
2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone
CID 55154462

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone (CID 4689898) is 2-[2-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone is O=C(COc1ccccc1C1N(Cc2ccccc2)CCN1Cc1ccccc1)N1CCOCC1.
What is the InChIKey of 2-[2-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is XXPZAMOZRMCLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c33-28(30-17-19-34-20-18-30)23-35-27-14-8-7-13-26(27)29-31(21-24-9-3-1-4-10-24)15-16-32(29)22-25-11-5-2-6-12-25/h1-14,29H,15-23H2.
What are the key properties of 2-[2-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone?
2-[2-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 471.60 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 4689898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).