N-benzyl-N-(1-cyclopropylethyl)-2-[6-(difluoromethoxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide

C27H29F2N3O4 — CID 118957758

IUPACN-benzyl-N-(1-cyclopropylethyl)-2-[6-(difluoromethoxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)NC2(CCc3cc(COC(F)F)ccc32)C1=O
InChIInChI=1S/C27H29F2N3O4/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,8-9,11-12,14-16H2,1H3,(H,30,35)
InChIKeyRHGRRFRVLMGHGC-UHFFFAOYSA-N
MW497.54 g/mol
LogP3.95
Rot. Bonds9

About N-benzyl-N-(1-cyclopropylethyl)-2-[6-(difluoromethoxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide

N-benzyl-N-(1-cyclopropylethyl)-2-[6-(difluoromethoxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide (PubChem CID 118957758) has the molecular formula C27H29F2N3O4 and a molecular weight of 497.54 g/mol. Its IUPAC name is N-benzyl-N-(1-cyclopropylethyl)-2-[6-(difluoromethoxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-(1-cyclopropylethyl)-2-[6-(difluoromethoxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
PubChem CID118957758
Molecular FormulaC27H29F2N3O4
Molecular Weight497.54 g/mol
Exact Mass497.21
IUPAC NameN-benzyl-N-(1-cyclopropylethyl)-2-[6-(difluoromethoxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)NC2(CCc3cc(COC(F)F)ccc32)C1=O
InChIInChI=1S/C27H29F2N3O4/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,8-9,11-12,14-16H2,1H3,(H,30,35)
InChIKeyRHGRRFRVLMGHGC-UHFFFAOYSA-N
XLogP3.95
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.54
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-benzyl-N-(1-cyclopropylethyl)-2-[6-(difluoromethoxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-(1-cyclopropylethyl)-2-[6-(hydroxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 118957780
(rac)-2-(1-{[1-(2,2,2-Trifluoro-acetylamino)-cyclopropanecarbonyl]-amino}-indan-5-yl)-benzoic acid methyl ester
CID 60142024
US20240299360, Example 65
CID 156822968
CID 58197704
CID 58197704
CID 68392030
CID 68392030
CID 68392056
CID 68392056
CID 90287649
CID 90287649
CID 91399198
CID 91399198
CID 117692189
CID 117692189
N-(1-cyclopropylethyl)-N-[[6-(difluoromethoxy)naphthalen-2-yl]methyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 118956819
N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
CID 118956890
N-benzyl-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 118957450

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-2-[6-(difluoromethoxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?
The IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-2-[6-(difluoromethoxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide (CID 118957758) is N-benzyl-N-(1-cyclopropylethyl)-2-[6-(difluoromethoxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide.
What is the SMILES notation for N-benzyl-N-(1-cyclopropylethyl)-2-[6-(difluoromethoxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?
The canonical SMILES for N-benzyl-N-(1-cyclopropylethyl)-2-[6-(difluoromethoxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide is CC(C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)NC2(CCc3cc(COC(F)F)ccc32)C1=O.
What is the InChIKey of N-benzyl-N-(1-cyclopropylethyl)-2-[6-(difluoromethoxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?
The InChIKey is RHGRRFRVLMGHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N3O4/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,8-9,11-12,14-16H2,1H3,(H,30,35).
What are the key properties of N-benzyl-N-(1-cyclopropylethyl)-2-[6-(difluoromethoxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?
N-benzyl-N-(1-cyclopropylethyl)-2-[6-(difluoromethoxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide has a molecular weight of 497.54 g/mol, XLogP of 3.95, 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-[6-(difluoromethoxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide is sourced from PubChem (CID 118957758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).