N-benzyl-N-(1-cyclopropylethyl)-2-[5'-(difluoromethoxymethyl)-2,5-dioxospiro[imidazolidine-4,1'-indene]-1-yl]acetamide

C27H27F2N3O4 — CID 122460053

IUPACN-benzyl-N-(1-cyclopropylethyl)-2-[5'-(difluoromethoxymethyl)-2,5-dioxospiro[imidazolidine-4,1'-indene]-1-yl]acetamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)NC2(C=Cc3cc(COC(F)F)ccc32)C1=O
InChIInChI=1S/C27H27F2N3O4/c1-17(20-8-9-20)31(14-18-5-3-2-4-6-18)23(33)15-32-24(34)27(30-26(32)35)12-11-21-13-19(7-10-22(21)27)16-36-25(28)29/h2-7,10-13,17,20,25H,8-9,14-16H2,1H3,(H,30,35)
InChIKeyOYMBJYWCJSQQAE-UHFFFAOYSA-N
MW495.53 g/mol
LogP4.03
Rot. Bonds9

About N-benzyl-N-(1-cyclopropylethyl)-2-[5'-(difluoromethoxymethyl)-2,5-dioxospiro[imidazolidine-4,1'-indene]-1-yl]acetamide

N-benzyl-N-(1-cyclopropylethyl)-2-[5'-(difluoromethoxymethyl)-2,5-dioxospiro[imidazolidine-4,1'-indene]-1-yl]acetamide (PubChem CID 122460053) has the molecular formula C27H27F2N3O4 and a molecular weight of 495.53 g/mol. Its IUPAC name is N-benzyl-N-(1-cyclopropylethyl)-2-[5'-(difluoromethoxymethyl)-2,5-dioxospiro[imidazolidine-4,1'-indene]-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-(1-cyclopropylethyl)-2-[5'-(difluoromethoxymethyl)-2,5-dioxospiro[imidazolidine-4,1'-indene]-1-yl]acetamide
PubChem CID122460053
Molecular FormulaC27H27F2N3O4
Molecular Weight495.53 g/mol
Exact Mass495.20
IUPAC NameN-benzyl-N-(1-cyclopropylethyl)-2-[5'-(difluoromethoxymethyl)-2,5-dioxospiro[imidazolidine-4,1'-indene]-1-yl]acetamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)NC2(C=Cc3cc(COC(F)F)ccc32)C1=O
InChIInChI=1S/C27H27F2N3O4/c1-17(20-8-9-20)31(14-18-5-3-2-4-6-18)23(33)15-32-24(34)27(30-26(32)35)12-11-21-13-19(7-10-22(21)27)16-36-25(28)29/h2-7,10-13,17,20,25H,8-9,14-16H2,1H3,(H,30,35)
InChIKeyOYMBJYWCJSQQAE-UHFFFAOYSA-N
XLogP4.03
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.53
LogP ≤ 54.03
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

Methyl 4-[1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoate
CID 155554730
Benzyl 4-[(4-cyclopropyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]piperazine-1-carboxylate
CID 56666227
N-benzyl-N-(1-cyclopropylethyl)-2-[6-(hydroxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 118957780
Methyl 4-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzoate
CID 15945436
US20240299360, Example 65
CID 156822968
5-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-3-[2-(dimethylamino)ethyl]-5-phenylimidazolidine-2,4-dione
CID 10164132
5-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-3-[3-(dimethylamino)propyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 10186970
5-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-3-(cyclopropylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 10207417
(5S)-5-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-methoxyethyl)-5-phenylimidazolidine-2,4-dione
CID 10300822
5-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-5-(4-fluorophenyl)-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 10302647
5-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-3-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 22960772
5-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-3-(2-morpholin-4-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 22960773

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-2-[5'-(difluoromethoxymethyl)-2,5-dioxospiro[imidazolidine-4,1'-indene]-1-yl]acetamide?
The IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-2-[5'-(difluoromethoxymethyl)-2,5-dioxospiro[imidazolidine-4,1'-indene]-1-yl]acetamide (CID 122460053) is N-benzyl-N-(1-cyclopropylethyl)-2-[5'-(difluoromethoxymethyl)-2,5-dioxospiro[imidazolidine-4,1'-indene]-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-(1-cyclopropylethyl)-2-[5'-(difluoromethoxymethyl)-2,5-dioxospiro[imidazolidine-4,1'-indene]-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-(1-cyclopropylethyl)-2-[5'-(difluoromethoxymethyl)-2,5-dioxospiro[imidazolidine-4,1'-indene]-1-yl]acetamide is CC(C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)NC2(C=Cc3cc(COC(F)F)ccc32)C1=O.
What is the InChIKey of N-benzyl-N-(1-cyclopropylethyl)-2-[5'-(difluoromethoxymethyl)-2,5-dioxospiro[imidazolidine-4,1'-indene]-1-yl]acetamide?
The InChIKey is OYMBJYWCJSQQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N3O4/c1-17(20-8-9-20)31(14-18-5-3-2-4-6-18)23(33)15-32-24(34)27(30-26(32)35)12-11-21-13-19(7-10-22(21)27)16-36-25(28)29/h2-7,10-13,17,20,25H,8-9,14-16H2,1H3,(H,30,35).
What are the key properties of N-benzyl-N-(1-cyclopropylethyl)-2-[5'-(difluoromethoxymethyl)-2,5-dioxospiro[imidazolidine-4,1'-indene]-1-yl]acetamide?
N-benzyl-N-(1-cyclopropylethyl)-2-[5'-(difluoromethoxymethyl)-2,5-dioxospiro[imidazolidine-4,1'-indene]-1-yl]acetamide has a molecular weight of 495.53 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-cyclopropylethyl)-2-[5'-(difluoromethoxymethyl)-2,5-dioxospiro[imidazolidine-4,1'-indene]-1-yl]acetamide is sourced from PubChem (CID 122460053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).