(5S)-5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione

C30H25N3O4 — CID 25363191

IUPAC(5S)-5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)C1=O
InChIInChI=1S/C30H25N3O4/c1-30(23-16-15-20-9-5-6-12-22(20)17-23)28(35)32(29(36)31-30)18-27(34)33-24-13-7-8-14-26(24)37-19-25(33)21-10-3-2-4-11-21/h2-17,25H,18-19H2,1H3,(H,31,36)/t25-,30+/m1/s1
InChIKeyXMLMYFOJZMVLGZ-RNAHPLFWSA-N
MW491.55 g/mol
LogP4.77
Rot. Bonds4

About (5S)-5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione

(5S)-5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 25363191) has the molecular formula C30H25N3O4 and a molecular weight of 491.55 g/mol. Its IUPAC name is (5S)-5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione
PubChem CID25363191
Molecular FormulaC30H25N3O4
Molecular Weight491.55 g/mol
Exact Mass491.18
IUPAC Name(5S)-5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)C1=O
InChIInChI=1S/C30H25N3O4/c1-30(23-16-15-20-9-5-6-12-22(20)17-23)28(35)32(29(36)31-30)18-27(34)33-24-13-7-8-14-26(24)37-19-25(33)21-10-3-2-4-11-21/h2-17,25H,18-19H2,1H3,(H,31,36)/t25-,30+/m1/s1
InChIKeyXMLMYFOJZMVLGZ-RNAHPLFWSA-N
XLogP4.77
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(3,4-difluorophenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione
CID 41236358
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2371043
(5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 2526606
3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 55304336
5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 42898015
3-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 17451643
3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 55342804
N-cyclopentyl-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 24537305
N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide
CID 41023343
N,N-dibutyl-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42893211
N-methyl-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-quinolin-2-ylacetamide
CID 166210015
N-(cyclopropylmethyl)-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 41138685

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione (CID 25363191) is (5S)-5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione is C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)C1=O.
What is the InChIKey of (5S)-5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is XMLMYFOJZMVLGZ-RNAHPLFWSA-N. The full InChI is InChI=1S/C30H25N3O4/c1-30(23-16-15-20-9-5-6-12-22(20)17-23)28(35)32(29(36)31-30)18-27(34)33-24-13-7-8-14-26(24)37-19-25(33)21-10-3-2-4-11-21/h2-17,25H,18-19H2,1H3,(H,31,36)/t25-,30+/m1/s1.
What are the key properties of (5S)-5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione?
(5S)-5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 491.55 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 25363191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).