N-[(4-fluorophenyl)methyl]-N-(3-methoxycyclobutyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide

C27H29FN4O6 — CID 118957630

IUPACN-[(4-fluorophenyl)methyl]-N-(3-methoxycyclobutyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide
SMILESCNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CC(OC)C2)C1=O
InChIInChI=1S/C27H29FN4O6/c1-29-25(35)30-19-7-8-22-17(11-19)9-10-27(22)24(34)32(26(36)38-27)15-23(33)31(20-12-21(13-20)37-2)14-16-3-5-18(28)6-4-16/h3-8,11,20-21H,9-10,12-15H2,1-2H3,(H2,29,30,35)/t20?,21?,27-/m1/s1
InChIKeyLEWJYWSMYRGYJE-WJLLHHSZSA-N
MW524.55 g/mol
LogP2.90
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-N-(3-methoxycyclobutyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide

N-[(4-fluorophenyl)methyl]-N-(3-methoxycyclobutyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide (PubChem CID 118957630) has the molecular formula C27H29FN4O6 and a molecular weight of 524.55 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-(3-methoxycyclobutyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-(3-methoxycyclobutyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide
PubChem CID118957630
Molecular FormulaC27H29FN4O6
Molecular Weight524.55 g/mol
Exact Mass524.21
IUPAC NameN-[(4-fluorophenyl)methyl]-N-(3-methoxycyclobutyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide
SMILESCNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CC(OC)C2)C1=O
InChIInChI=1S/C27H29FN4O6/c1-29-25(35)30-19-7-8-22-17(11-19)9-10-27(22)24(34)32(26(36)38-27)15-23(33)31(20-12-21(13-20)37-2)14-16-3-5-18(28)6-4-16/h3-8,11,20-21H,9-10,12-15H2,1-2H3,(H2,29,30,35)/t20?,21?,27-/m1/s1
InChIKeyLEWJYWSMYRGYJE-WJLLHHSZSA-N
XLogP2.90
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.55
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-fluorophenyl)methyl-[2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]cyclobutane-1-carboxylic acid
CID 118956923
tert-butyl 4-[(4-fluorophenyl)methyl-[2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]cyclohexane-1-carboxylate
CID 118957242
N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]acetamide
CID 118958134
N-(2,2-difluorocyclopentyl)-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide
CID 118957986
tert-butyl 2-[4-[(4-fluorophenyl)methyl-[2-[6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]cyclohexylidene]acetate
CID 140851166
[(3R)-3-[(4-fluorophenyl)methyl-[2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]pyrrolidin-1-yl]methanesulfinate
CID 135204374
ethyl-[3-[(4-fluorophenyl)methyl-[2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]azetidin-1-yl]sulfonylcarbamic acid
CID 135205119
N-[(4-fluorophenyl)methyl]-2-[(3S)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1,1,1-trifluoropropan-2-yl)acetamide
CID 171904153
N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]-2-[6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide
CID 118957994
tert-butyl 3-[1-[(4-fluorophenyl)methyl-[2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]ethyl]azetidine-1-carboxylate
CID 118957142
benzyl 3-[[(4-fluorophenyl)methyl-[2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]methyl]azetidine-1-carboxylate
CID 118958211
[3-[(4-fluorophenyl)methyl-[2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]-3-methylazetidin-1-yl]sulfonylcarbamic acid
CID 118957419

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-(3-methoxycyclobutyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-(3-methoxycyclobutyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide (CID 118957630) is N-[(4-fluorophenyl)methyl]-N-(3-methoxycyclobutyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-(3-methoxycyclobutyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-(3-methoxycyclobutyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide is CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CC(OC)C2)C1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-(3-methoxycyclobutyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide?
The InChIKey is LEWJYWSMYRGYJE-WJLLHHSZSA-N. The full InChI is InChI=1S/C27H29FN4O6/c1-29-25(35)30-19-7-8-22-17(11-19)9-10-27(22)24(34)32(26(36)38-27)15-23(33)31(20-12-21(13-20)37-2)14-16-3-5-18(28)6-4-16/h3-8,11,20-21H,9-10,12-15H2,1-2H3,(H2,29,30,35)/t20?,21?,27-/m1/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-(3-methoxycyclobutyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide?
N-[(4-fluorophenyl)methyl]-N-(3-methoxycyclobutyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide has a molecular weight of 524.55 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-(3-methoxycyclobutyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide is sourced from PubChem (CID 118957630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).