3-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione

C17H22N4O3 — CID 119649146

IUPAC3-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
SMILESCNCC1CCCN1C(=O)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C17H22N4O3/c1-18-9-14-3-2-8-20(14)16(23)13-6-4-12(5-7-13)11-21-15(22)10-19-17(21)24/h4-7,14,18H,2-3,8-11H2,1H3,(H,19,24)
InChIKeyGAOROHPAMBLDEG-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.56
Rot. Bonds5

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

3-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 119649146) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
PubChem CID119649146
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name3-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
SMILESCNCC1CCCN1C(=O)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C17H22N4O3/c1-18-9-14-3-2-8-20(14)16(23)13-6-4-12(5-7-13)11-21-15(22)10-19-17(21)24/h4-7,14,18H,2-3,8-11H2,1H3,(H,19,24)
InChIKeyGAOROHPAMBLDEG-UHFFFAOYSA-N
XLogP0.56
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
CID 32747160
(4-chlorophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650883
N-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride
CID 119649550
1-[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 119649565
[2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 63249644
[4-(difluoromethylsulfonylmethyl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119652178
(4-ethylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651635
[4-(1,3-dithiolan-2-yl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650154
[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone;hydrochloride
CID 119652316
(5-chlorofuran-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119651425
1-[[4-[(2S)-2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 124595392
(4-chloro-3-iodophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651989

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione (CID 119649146) is 3-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione is CNCC1CCCN1C(=O)c1ccc(CN2C(=O)CNC2=O)cc1.
What is the InChIKey of 3-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is GAOROHPAMBLDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-18-9-14-3-2-8-20(14)16(23)13-6-4-12(5-7-13)11-21-15(22)10-19-17(21)24/h4-7,14,18H,2-3,8-11H2,1H3,(H,19,24).
What are the key properties of 3-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione?
3-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 330.39 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 119649146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).