3-(2,5-dioxoimidazolidin-1-yl)-N-(3-phenylpropyl)pyrrolidine-1-carboxamide

C17H22N4O3 — CID 121160042

IUPAC3-(2,5-dioxoimidazolidin-1-yl)-N-(3-phenylpropyl)pyrrolidine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C17H22N4O3/c22-15-11-19-17(24)21(15)14-8-10-20(12-14)16(23)18-9-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,18,23)(H,19,24)
InChIKeyTYHHHIIOCFOADN-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.95
Rot. Bonds5

About 3-(2,5-dioxoimidazolidin-1-yl)-N-(3-phenylpropyl)pyrrolidine-1-carboxamide

3-(2,5-dioxoimidazolidin-1-yl)-N-(3-phenylpropyl)pyrrolidine-1-carboxamide (PubChem CID 121160042) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-(2,5-dioxoimidazolidin-1-yl)-N-(3-phenylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(2,5-dioxoimidazolidin-1-yl)-N-(3-phenylpropyl)pyrrolidine-1-carboxamide
PubChem CID121160042
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name3-(2,5-dioxoimidazolidin-1-yl)-N-(3-phenylpropyl)pyrrolidine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C17H22N4O3/c22-15-11-19-17(24)21(15)14-8-10-20(12-14)16(23)18-9-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,18,23)(H,19,24)
InChIKeyTYHHHIIOCFOADN-UHFFFAOYSA-N
XLogP0.95
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(4-phenylbutanoyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121159452
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
benzyl N-[2-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 121159977
3-[1-(3-phenylprop-2-enoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 171139182
3-[1-[3-(3-chlorophenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159824
3-[1-(2-benzylsulfanylacetyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017227
3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide
CID 121105872
(1S,6S)-9-methyl-N-[3-(2-phenylethoxy)propyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 124776899
4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide
CID 118398509
1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
CID 122000468
3-[1-(2-pyrrol-1-ylacetyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159893
3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 163339671

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxoimidazolidin-1-yl)-N-(3-phenylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(2,5-dioxoimidazolidin-1-yl)-N-(3-phenylpropyl)pyrrolidine-1-carboxamide (CID 121160042) is 3-(2,5-dioxoimidazolidin-1-yl)-N-(3-phenylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(2,5-dioxoimidazolidin-1-yl)-N-(3-phenylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(2,5-dioxoimidazolidin-1-yl)-N-(3-phenylpropyl)pyrrolidine-1-carboxamide is O=C(NCCCc1ccccc1)N1CCC(N2C(=O)CNC2=O)C1.
What is the InChIKey of 3-(2,5-dioxoimidazolidin-1-yl)-N-(3-phenylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is TYHHHIIOCFOADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c22-15-11-19-17(24)21(15)14-8-10-20(12-14)16(23)18-9-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,18,23)(H,19,24).
What are the key properties of 3-(2,5-dioxoimidazolidin-1-yl)-N-(3-phenylpropyl)pyrrolidine-1-carboxamide?
3-(2,5-dioxoimidazolidin-1-yl)-N-(3-phenylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxoimidazolidin-1-yl)-N-(3-phenylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 121160042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).