3-[[3-[2-(2-hydroxypropyl)azepane-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione

C20H27N3O4 — CID 136542268

IUPAC3-[[3-[2-(2-hydroxypropyl)azepane-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
SMILESCC(O)CC1CCCCCN1C(=O)c1cccc(CN2C(=O)CNC2=O)c1
InChIInChI=1S/C20H27N3O4/c1-14(24)10-17-8-3-2-4-9-22(17)19(26)16-7-5-6-15(11-16)13-23-18(25)12-21-20(23)27/h5-7,11,14,17,24H,2-4,8-10,12-13H2,1H3,(H,21,27)
InChIKeyOGQVGYKQRMXZCB-UHFFFAOYSA-N
MW373.45 g/mol
LogP1.89
Rot. Bonds5

About 3-[[3-[2-(2-hydroxypropyl)azepane-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione

3-[[3-[2-(2-hydroxypropyl)azepane-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 136542268) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 3-[[3-[2-(2-hydroxypropyl)azepane-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[3-[2-(2-hydroxypropyl)azepane-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
PubChem CID136542268
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name3-[[3-[2-(2-hydroxypropyl)azepane-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
SMILESCC(O)CC1CCCCCN1C(=O)c1cccc(CN2C(=O)CNC2=O)c1
InChIInChI=1S/C20H27N3O4/c1-14(24)10-17-8-3-2-4-9-22(17)19(26)16-7-5-6-15(11-16)13-23-18(25)12-21-20(23)27/h5-7,11,14,17,24H,2-4,8-10,12-13H2,1H3,(H,21,27)
InChIKeyOGQVGYKQRMXZCB-UHFFFAOYSA-N
XLogP1.89
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[3-[2-(2-hydroxypropyl)azepane-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

3-[[3-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione;hydrochloride
CID 119437149
3-[[3-(2-phenylpyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
CID 47019593
[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 79549123
[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 79548686
(4-fluoro-3-methylphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 79539952
3-[[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
CID 32747160
[2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 79549270
(3,5-dihydroxyphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 107704806
3-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
CID 119649146
1-[2-(2-hydroxypropyl)azepan-1-yl]-2-(3-methylphenyl)ethanone
CID 79540297
2-(3-hydroxyphenyl)-1-[2-(2-hydroxypropyl)azepan-1-yl]ethanone
CID 79540436
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 79548752

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[2-(2-hydroxypropyl)azepane-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[[3-[2-(2-hydroxypropyl)azepane-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione (CID 136542268) is 3-[[3-[2-(2-hydroxypropyl)azepane-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[3-[2-(2-hydroxypropyl)azepane-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[[3-[2-(2-hydroxypropyl)azepane-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione is CC(O)CC1CCCCCN1C(=O)c1cccc(CN2C(=O)CNC2=O)c1.
What is the InChIKey of 3-[[3-[2-(2-hydroxypropyl)azepane-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is OGQVGYKQRMXZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-14(24)10-17-8-3-2-4-9-22(17)19(26)16-7-5-6-15(11-16)13-23-18(25)12-21-20(23)27/h5-7,11,14,17,24H,2-4,8-10,12-13H2,1H3,(H,21,27).
What are the key properties of 3-[[3-[2-(2-hydroxypropyl)azepane-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione?
3-[[3-[2-(2-hydroxypropyl)azepane-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 373.45 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[2-(2-hydroxypropyl)azepane-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 136542268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).