3-[(2-methoxyphenyl)methyl]-5-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione

C18H23N3O5 — CID 91823594

IUPAC3-[(2-methoxyphenyl)methyl]-5-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione
SMILESCOc1ccccc1CN1C(=O)NC(CCC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C18H23N3O5/c1-25-15-5-3-2-4-13(15)12-21-17(23)14(19-18(21)24)6-7-16(22)20-8-10-26-11-9-20/h2-5,14H,6-12H2,1H3,(H,19,24)
InChIKeyGGDNFYWUFXUCOZ-UHFFFAOYSA-N
MW361.40 g/mol
LogP0.75
Rot. Bonds6

About 3-[(2-methoxyphenyl)methyl]-5-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione

3-[(2-methoxyphenyl)methyl]-5-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione (PubChem CID 91823594) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]-5-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]-5-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione
PubChem CID91823594
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Name3-[(2-methoxyphenyl)methyl]-5-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione
SMILESCOc1ccccc1CN1C(=O)NC(CCC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C18H23N3O5/c1-25-15-5-3-2-4-13(15)12-21-17(23)14(19-18(21)24)6-7-16(22)20-8-10-26-11-9-20/h2-5,14H,6-12H2,1H3,(H,19,24)
InChIKeyGGDNFYWUFXUCOZ-UHFFFAOYSA-N
XLogP0.75
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 99870686
2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 125296367
(5S)-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-[(2-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 91636915
(5R)-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-[(2-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 124863296
(5R)-3-[(2-chlorophenyl)methyl]-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 124906523
3-[(3,4-dimethoxyphenyl)methyl]-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 75532001
3-[(4R)-1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide
CID 124862992
1-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55471047
3-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 124862016
(5S)-3-[(2-chlorophenyl)methyl]-5-[3-oxo-3-[(2S)-2-phenylmorpholin-4-yl]propyl]imidazolidine-2,4-dione
CID 97489497
2-[1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-pyridin-2-ylacetamide
CID 75531804
(5R)-3-(furan-2-ylmethyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 99870969

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]-5-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]-5-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione (CID 91823594) is 3-[(2-methoxyphenyl)methyl]-5-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]-5-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]-5-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione is COc1ccccc1CN1C(=O)NC(CCC(=O)N2CCOCC2)C1=O.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]-5-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione?
The InChIKey is GGDNFYWUFXUCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-25-15-5-3-2-4-13(15)12-21-17(23)14(19-18(21)24)6-7-16(22)20-8-10-26-11-9-20/h2-5,14H,6-12H2,1H3,(H,19,24).
What are the key properties of 3-[(2-methoxyphenyl)methyl]-5-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione?
3-[(2-methoxyphenyl)methyl]-5-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione has a molecular weight of 361.40 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]-5-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 91823594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).