3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(3-methoxypropyl)propanamide

C17H23N3O4 — CID 51837195

IUPAC3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C17H23N3O4/c1-24-11-5-10-18-15(21)9-8-14-16(22)20(17(23)19-14)12-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,18,21)(H,19,23)/t14-/m1/s1
InChIKeyFYLYZSQONLZKGC-CQSZACIVSA-N
MW333.39 g/mol
LogP1.04
Rot. Bonds9

About 3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(3-methoxypropyl)propanamide

3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(3-methoxypropyl)propanamide (PubChem CID 51837195) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(3-methoxypropyl)propanamide
PubChem CID51837195
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C17H23N3O4/c1-24-11-5-10-18-15(21)9-8-14-16(22)20(17(23)19-14)12-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,18,21)(H,19,23)/t14-/m1/s1
InChIKeyFYLYZSQONLZKGC-CQSZACIVSA-N
XLogP1.04
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(3-methoxypropyl)propanamide (CID 51837195) is 3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(3-methoxypropyl)propanamide?
The InChIKey is FYLYZSQONLZKGC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-24-11-5-10-18-15(21)9-8-14-16(22)20(17(23)19-14)12-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,18,21)(H,19,23)/t14-/m1/s1.
What are the key properties of 3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(3-methoxypropyl)propanamide?
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(3-methoxypropyl)propanamide has a molecular weight of 333.39 g/mol, XLogP of 1.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 51837195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).