3-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]imidazolidin-4-yl]-N-propylpropanamide

C17H23N3O3 — CID 51834190

IUPAC3-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]imidazolidin-4-yl]-N-propylpropanamide
SMILESCCCNC(=O)CC[C@H]1NC(=O)N([C@@H](C)c2ccccc2)C1=O
InChIInChI=1S/C17H23N3O3/c1-3-11-18-15(21)10-9-14-16(22)20(17(23)19-14)12(2)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,18,21)(H,19,23)/t12-,14+/m0/s1
InChIKeyNWQUZHOYQPKQMI-GXTWGEPZSA-N
MW317.39 g/mol
LogP1.97
Rot. Bonds7

About 3-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]imidazolidin-4-yl]-N-propylpropanamide

3-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]imidazolidin-4-yl]-N-propylpropanamide (PubChem CID 51834190) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]imidazolidin-4-yl]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]imidazolidin-4-yl]-N-propylpropanamide
PubChem CID51834190
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]imidazolidin-4-yl]-N-propylpropanamide
SMILESCCCNC(=O)CC[C@H]1NC(=O)N([C@@H](C)c2ccccc2)C1=O
InChIInChI=1S/C17H23N3O3/c1-3-11-18-15(21)10-9-14-16(22)20(17(23)19-14)12(2)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,18,21)(H,19,23)/t12-,14+/m0/s1
InChIKeyNWQUZHOYQPKQMI-GXTWGEPZSA-N
XLogP1.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]imidazolidin-4-yl]-N-propylpropanamide?
The IUPAC name of 3-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]imidazolidin-4-yl]-N-propylpropanamide (CID 51834190) is 3-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]imidazolidin-4-yl]-N-propylpropanamide.
What is the SMILES notation for 3-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]imidazolidin-4-yl]-N-propylpropanamide?
The canonical SMILES for 3-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]imidazolidin-4-yl]-N-propylpropanamide is CCCNC(=O)CC[C@H]1NC(=O)N([C@@H](C)c2ccccc2)C1=O.
What is the InChIKey of 3-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]imidazolidin-4-yl]-N-propylpropanamide?
The InChIKey is NWQUZHOYQPKQMI-GXTWGEPZSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-11-18-15(21)10-9-14-16(22)20(17(23)19-14)12(2)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,18,21)(H,19,23)/t12-,14+/m0/s1.
What are the key properties of 3-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]imidazolidin-4-yl]-N-propylpropanamide?
3-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]imidazolidin-4-yl]-N-propylpropanamide has a molecular weight of 317.39 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]imidazolidin-4-yl]-N-propylpropanamide is sourced from PubChem (CID 51834190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).