3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide

C19H24N4O5 — CID 110204751

IUPAC3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide
SMILESCOc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCN3CCCC3=O)C2=O)cc1
InChIInChI=1S/C19H24N4O5/c1-28-14-6-4-13(5-7-14)23-18(26)15(21-19(23)27)8-9-16(24)20-10-12-22-11-2-3-17(22)25/h4-7,15H,2-3,8-12H2,1H3,(H,20,24)(H,21,27)/t15-/m0/s1
InChIKeyCRRFMXFIZNOZQX-HNNXBMFYSA-N
MW388.42 g/mol
LogP0.64
Rot. Bonds8

About 3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide

3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide (PubChem CID 110204751) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is 3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide
PubChem CID110204751
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide
SMILESCOc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCN3CCCC3=O)C2=O)cc1
InChIInChI=1S/C19H24N4O5/c1-28-14-6-4-13(5-7-14)23-18(26)15(21-19(23)27)8-9-16(24)20-10-12-22-11-2-3-17(22)25/h4-7,15H,2-3,8-12H2,1H3,(H,20,24)(H,21,27)/t15-/m0/s1
InChIKeyCRRFMXFIZNOZQX-HNNXBMFYSA-N
XLogP0.64
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide?
The IUPAC name of 3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide (CID 110204751) is 3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide?
The canonical SMILES for 3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide is COc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCN3CCCC3=O)C2=O)cc1.
What is the InChIKey of 3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide?
The InChIKey is CRRFMXFIZNOZQX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-28-14-6-4-13(5-7-14)23-18(26)15(21-19(23)27)8-9-16(24)20-10-12-22-11-2-3-17(22)25/h4-7,15H,2-3,8-12H2,1H3,(H,20,24)(H,21,27)/t15-/m0/s1.
What are the key properties of 3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide?
3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide has a molecular weight of 388.42 g/mol, XLogP of 0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 110204751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).