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

C30H32FN5O4 — CID 118957117

IUPACN-(4-aminocyclohexyl)-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide
SMILESCn1cc(-c2ccc3c(c2)CC[C@@]32OC(=O)N(CC(=O)N(Cc3ccc(F)cc3)C3CCC(N)CC3)C2=O)cn1
InChIInChI=1S/C30H32FN5O4/c1-34-17-22(15-33-34)20-4-11-26-21(14-20)12-13-30(26)28(38)36(29(39)40-30)18-27(37)35(25-9-7-24(32)8-10-25)16-19-2-5-23(31)6-3-19/h2-6,11,14-15,17,24-25H,7-10,12-13,16,18,32H2,1H3/t24?,25?,30-/m1/s1
InChIKeyDEGKBIKTCOKAFQ-NZAOONQGSA-N
MW545.62 g/mol
LogP3.65
Rot. Bonds6

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

N-(4-aminocyclohexyl)-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide (PubChem CID 118957117) has the molecular formula C30H32FN5O4 and a molecular weight of 545.62 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide
PubChem CID118957117
Molecular FormulaC30H32FN5O4
Molecular Weight545.62 g/mol
Exact Mass545.24
IUPAC NameN-(4-aminocyclohexyl)-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide
SMILESCn1cc(-c2ccc3c(c2)CC[C@@]32OC(=O)N(CC(=O)N(Cc3ccc(F)cc3)C3CCC(N)CC3)C2=O)cn1
InChIInChI=1S/C30H32FN5O4/c1-34-17-22(15-33-34)20-4-11-26-21(14-20)12-13-30(26)28(38)36(29(39)40-30)18-27(37)35(25-9-7-24(32)8-10-25)16-19-2-5-23(31)6-3-19/h2-6,11,14-15,17,24-25H,7-10,12-13,16,18,32H2,1H3/t24?,25?,30-/m1/s1
InChIKeyDEGKBIKTCOKAFQ-NZAOONQGSA-N
XLogP3.65
TPSA110.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.62
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide?
The IUPAC name of N-(4-aminocyclohexyl)-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide (CID 118957117) is N-(4-aminocyclohexyl)-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide is Cn1cc(-c2ccc3c(c2)CC[C@@]32OC(=O)N(CC(=O)N(Cc3ccc(F)cc3)C3CCC(N)CC3)C2=O)cn1.
What is the InChIKey of N-(4-aminocyclohexyl)-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide?
The InChIKey is DEGKBIKTCOKAFQ-NZAOONQGSA-N. The full InChI is InChI=1S/C30H32FN5O4/c1-34-17-22(15-33-34)20-4-11-26-21(14-20)12-13-30(26)28(38)36(29(39)40-30)18-27(37)35(25-9-7-24(32)8-10-25)16-19-2-5-23(31)6-3-19/h2-6,11,14-15,17,24-25H,7-10,12-13,16,18,32H2,1H3/t24?,25?,30-/m1/s1.
What are the key properties of N-(4-aminocyclohexyl)-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide?
N-(4-aminocyclohexyl)-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide has a molecular weight of 545.62 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide is sourced from PubChem (CID 118957117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).