2-(5-acetamido-2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-N-(2-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide

C27H29FN4O4 — CID 122459909

IUPAC2-(5-acetamido-2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-N-(2-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CC1(C2)NC(=O)N(CC(=O)N(CCC2CC2)Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C27H29FN4O4/c1-17(33)29-23-9-6-20-13-27(14-21(20)12-23)25(35)32(26(36)30-27)16-24(34)31(11-10-18-2-3-18)15-19-4-7-22(28)8-5-19/h4-9,12,18H,2-3,10-11,13-16H2,1H3,(H,29,33)(H,30,36)
InChIKeyWFWVOXPPFCXJCM-UHFFFAOYSA-N
MW492.55 g/mol
LogP3.00
Rot. Bonds8

About 2-(5-acetamido-2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-N-(2-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide

2-(5-acetamido-2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-N-(2-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 122459909) has the molecular formula C27H29FN4O4 and a molecular weight of 492.55 g/mol. Its IUPAC name is 2-(5-acetamido-2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-N-(2-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-acetamido-2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-N-(2-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID122459909
Molecular FormulaC27H29FN4O4
Molecular Weight492.55 g/mol
Exact Mass492.22
IUPAC Name2-(5-acetamido-2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-N-(2-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CC1(C2)NC(=O)N(CC(=O)N(CCC2CC2)Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C27H29FN4O4/c1-17(33)29-23-9-6-20-13-27(14-21(20)12-23)25(35)32(26(36)30-27)16-24(34)31(11-10-18-2-3-18)15-19-4-7-22(28)8-5-19/h4-9,12,18H,2-3,10-11,13-16H2,1H3,(H,29,33)(H,30,36)
InChIKeyWFWVOXPPFCXJCM-UHFFFAOYSA-N
XLogP3.00
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.55
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclopropylethyl)-2-[7-(ethylcarbamoylamino)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 135203968
N-[(4-fluorophenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pentylacetamide
CID 46599435
(3S)-2-(7-acetamido-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-3-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide
CID 118958345
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 17453320
2-[(3R)-6-acetamido-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
CID 118957128
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 9401594
N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]-3-fluorophenyl]acetamide
CID 9390123
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-(4-fluorophenyl)acetamide
CID 3662145
N-[4-[3-[[(2S)-2-[[2-[(3R)-6-acetamido-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]-[(4-fluorophenyl)methyl]amino]propyl]amino]-3-oxopropyl]phenyl]-12-cyclobutyldodecanamide
CID 149305405
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-[2-[(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)amino]-2-oxoethyl]propanamide
CID 45485654
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24520357
N-benzyl-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 46533735

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-N-(2-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(5-acetamido-2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-N-(2-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide (CID 122459909) is 2-(5-acetamido-2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-N-(2-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-acetamido-2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-N-(2-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(5-acetamido-2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-N-(2-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide is CC(=O)Nc1ccc2c(c1)CC1(C2)NC(=O)N(CC(=O)N(CCC2CC2)Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 2-(5-acetamido-2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-N-(2-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is WFWVOXPPFCXJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O4/c1-17(33)29-23-9-6-20-13-27(14-21(20)12-23)25(35)32(26(36)30-27)16-24(34)31(11-10-18-2-3-18)15-19-4-7-22(28)8-5-19/h4-9,12,18H,2-3,10-11,13-16H2,1H3,(H,29,33)(H,30,36).
What are the key properties of 2-(5-acetamido-2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-N-(2-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(5-acetamido-2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-N-(2-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 492.55 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamido-2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-N-(2-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 122459909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).