3-(2-methoxy-N-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]anilino)propanamide

C22H24N4O5 — CID 27347474

IUPAC3-(2-methoxy-N-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]anilino)propanamide
SMILESCOc1ccccc1N(CCC(N)=O)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O
InChIInChI=1S/C22H24N4O5/c1-22(15-8-4-3-5-9-15)20(29)26(21(30)24-22)14-19(28)25(13-12-18(23)27)16-10-6-7-11-17(16)31-2/h3-11H,12-14H2,1-2H3,(H2,23,27)(H,24,30)/t22-/m1/s1
InChIKeyLYUUFEUMYKFJIQ-JOCHJYFZSA-N
MW424.46 g/mol
LogP1.37
Rot. Bonds8

About 3-(2-methoxy-N-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]anilino)propanamide

3-(2-methoxy-N-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]anilino)propanamide (PubChem CID 27347474) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is 3-(2-methoxy-N-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]anilino)propanamide.

Molecular Properties

Compound Name3-(2-methoxy-N-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]anilino)propanamide
PubChem CID27347474
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC Name3-(2-methoxy-N-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]anilino)propanamide
SMILESCOc1ccccc1N(CCC(N)=O)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O
InChIInChI=1S/C22H24N4O5/c1-22(15-8-4-3-5-9-15)20(29)26(21(30)24-22)14-19(28)25(13-12-18(23)27)16-10-6-7-11-17(16)31-2/h3-11H,12-14H2,1-2H3,(H2,23,27)(H,24,30)/t22-/m1/s1
InChIKeyLYUUFEUMYKFJIQ-JOCHJYFZSA-N
XLogP1.37
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-methoxy-N-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]anilino)propanamide?
The IUPAC name of 3-(2-methoxy-N-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]anilino)propanamide (CID 27347474) is 3-(2-methoxy-N-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]anilino)propanamide.
What is the SMILES notation for 3-(2-methoxy-N-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]anilino)propanamide?
The canonical SMILES for 3-(2-methoxy-N-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]anilino)propanamide is COc1ccccc1N(CCC(N)=O)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O.
What is the InChIKey of 3-(2-methoxy-N-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]anilino)propanamide?
The InChIKey is LYUUFEUMYKFJIQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-22(15-8-4-3-5-9-15)20(29)26(21(30)24-22)14-19(28)25(13-12-18(23)27)16-10-6-7-11-17(16)31-2/h3-11H,12-14H2,1-2H3,(H2,23,27)(H,24,30)/t22-/m1/s1.
What are the key properties of 3-(2-methoxy-N-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]anilino)propanamide?
3-(2-methoxy-N-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]anilino)propanamide has a molecular weight of 424.46 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-N-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]anilino)propanamide is sourced from PubChem (CID 27347474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).