2-[(4R)-4-[4-[2-(azetidin-1-yl)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)-3-phenylbutanamide

C31H32N4O5 — CID 143528354

IUPAC2-[(4R)-4-[4-[2-(azetidin-1-yl)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)-3-phenylbutanamide
SMILESCc1ccc(NC(=O)C(C(C)c2ccccc2)N2C(=O)N[C@H](c3ccc(OCC(=O)N4CCC4)cc3)C2=O)cc1
InChIInChI=1S/C31H32N4O5/c1-20-9-13-24(14-10-20)32-29(37)28(21(2)22-7-4-3-5-8-22)35-30(38)27(33-31(35)39)23-11-15-25(16-12-23)40-19-26(36)34-17-6-18-34/h3-5,7-16,21,27-28H,6,17-19H2,1-2H3,(H,32,37)(H,33,39)/t21?,27-,28?/m1/s1
InChIKeyQUKYGWOKAHTDIE-FJASEYGESA-N
MW540.62 g/mol
LogP4.01
Rot. Bonds9

About 2-[(4R)-4-[4-[2-(azetidin-1-yl)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)-3-phenylbutanamide

2-[(4R)-4-[4-[2-(azetidin-1-yl)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)-3-phenylbutanamide (PubChem CID 143528354) has the molecular formula C31H32N4O5 and a molecular weight of 540.62 g/mol. Its IUPAC name is 2-[(4R)-4-[4-[2-(azetidin-1-yl)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)-3-phenylbutanamide.

Molecular Properties

Compound Name2-[(4R)-4-[4-[2-(azetidin-1-yl)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)-3-phenylbutanamide
PubChem CID143528354
Molecular FormulaC31H32N4O5
Molecular Weight540.62 g/mol
Exact Mass540.24
IUPAC Name2-[(4R)-4-[4-[2-(azetidin-1-yl)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)-3-phenylbutanamide
SMILESCc1ccc(NC(=O)C(C(C)c2ccccc2)N2C(=O)N[C@H](c3ccc(OCC(=O)N4CCC4)cc3)C2=O)cc1
InChIInChI=1S/C31H32N4O5/c1-20-9-13-24(14-10-20)32-29(37)28(21(2)22-7-4-3-5-8-22)35-30(38)27(33-31(35)39)23-11-15-25(16-12-23)40-19-26(36)34-17-6-18-34/h3-5,7-16,21,27-28H,6,17-19H2,1-2H3,(H,32,37)(H,33,39)/t21?,27-,28?/m1/s1
InChIKeyQUKYGWOKAHTDIE-FJASEYGESA-N
XLogP4.01
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.62
LogP ≤ 54.01
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 2-[(4R)-4-[4-[2-(azetidin-1-yl)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)-3-phenylbutanamide?
The IUPAC name of 2-[(4R)-4-[4-[2-(azetidin-1-yl)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)-3-phenylbutanamide (CID 143528354) is 2-[(4R)-4-[4-[2-(azetidin-1-yl)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)-3-phenylbutanamide.
What is the SMILES notation for 2-[(4R)-4-[4-[2-(azetidin-1-yl)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)-3-phenylbutanamide?
The canonical SMILES for 2-[(4R)-4-[4-[2-(azetidin-1-yl)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)-3-phenylbutanamide is Cc1ccc(NC(=O)C(C(C)c2ccccc2)N2C(=O)N[C@H](c3ccc(OCC(=O)N4CCC4)cc3)C2=O)cc1.
What is the InChIKey of 2-[(4R)-4-[4-[2-(azetidin-1-yl)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)-3-phenylbutanamide?
The InChIKey is QUKYGWOKAHTDIE-FJASEYGESA-N. The full InChI is InChI=1S/C31H32N4O5/c1-20-9-13-24(14-10-20)32-29(37)28(21(2)22-7-4-3-5-8-22)35-30(38)27(33-31(35)39)23-11-15-25(16-12-23)40-19-26(36)34-17-6-18-34/h3-5,7-16,21,27-28H,6,17-19H2,1-2H3,(H,32,37)(H,33,39)/t21?,27-,28?/m1/s1.
What are the key properties of 2-[(4R)-4-[4-[2-(azetidin-1-yl)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)-3-phenylbutanamide?
2-[(4R)-4-[4-[2-(azetidin-1-yl)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)-3-phenylbutanamide has a molecular weight of 540.62 g/mol, XLogP of 4.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-[4-[2-(azetidin-1-yl)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)-3-phenylbutanamide is sourced from PubChem (CID 143528354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).