3-(2,5-dioxoimidazolidin-4-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide

C17H22N4O3 — CID 70730130

IUPAC3-(2,5-dioxoimidazolidin-4-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide
SMILESO=C(CCC1NC(=O)NC1=O)NCc1cccc(N2CCCC2)c1
InChIInChI=1S/C17H22N4O3/c22-15(7-6-14-16(23)20-17(24)19-14)18-11-12-4-3-5-13(10-12)21-8-1-2-9-21/h3-5,10,14H,1-2,6-9,11H2,(H,18,22)(H2,19,20,23,24)
InChIKeyJXVPDNBNEPEZDF-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.89
Rot. Bonds6

About 3-(2,5-dioxoimidazolidin-4-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide

3-(2,5-dioxoimidazolidin-4-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide (PubChem CID 70730130) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-(2,5-dioxoimidazolidin-4-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxoimidazolidin-4-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide
PubChem CID70730130
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name3-(2,5-dioxoimidazolidin-4-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide
SMILESO=C(CCC1NC(=O)NC1=O)NCc1cccc(N2CCCC2)c1
InChIInChI=1S/C17H22N4O3/c22-15(7-6-14-16(23)20-17(24)19-14)18-11-12-4-3-5-13(10-12)21-8-1-2-9-21/h3-5,10,14H,1-2,6-9,11H2,(H,18,22)(H2,19,20,23,24)
InChIKeyJXVPDNBNEPEZDF-UHFFFAOYSA-N
XLogP0.89
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2S)-1-methylpiperidin-2-yl]-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 97201806
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3-(2,5-dioxoimidazolidin-4-yl)propanamide
CID 70709981
3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide
CID 70767719
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 95092760
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide
CID 48597038
N-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 91394219
3-(4-oxoquinazolin-3-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide
CID 46977564
3-(2,5-dioxoimidazolidin-4-yl)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 70708571
5-[3-oxo-3-[4-(4-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
CID 164621686
(5R)-5-[3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 97114558
2-chloro-N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]benzamide
CID 97128970
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide
CID 46976685

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxoimidazolidin-4-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide?
The IUPAC name of 3-(2,5-dioxoimidazolidin-4-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide (CID 70730130) is 3-(2,5-dioxoimidazolidin-4-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxoimidazolidin-4-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-(2,5-dioxoimidazolidin-4-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide is O=C(CCC1NC(=O)NC1=O)NCc1cccc(N2CCCC2)c1.
What is the InChIKey of 3-(2,5-dioxoimidazolidin-4-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide?
The InChIKey is JXVPDNBNEPEZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c22-15(7-6-14-16(23)20-17(24)19-14)18-11-12-4-3-5-13(10-12)21-8-1-2-9-21/h3-5,10,14H,1-2,6-9,11H2,(H,18,22)(H2,19,20,23,24).
What are the key properties of 3-(2,5-dioxoimidazolidin-4-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide?
3-(2,5-dioxoimidazolidin-4-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide has a molecular weight of 330.39 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxoimidazolidin-4-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide is sourced from PubChem (CID 70730130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).