N-benzyl-2-[(3R)-6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]acetamide

C25H25BrN2O4 — CID 118956944

IUPACN-benzyl-2-[(3R)-6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]acetamide
SMILESC[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)O[C@@]2(CCc3cc(Br)ccc32)C1=O
InChIInChI=1S/C25H25BrN2O4/c1-16(18-7-8-18)27(14-17-5-3-2-4-6-17)22(29)15-28-23(30)25(32-24(28)31)12-11-19-13-20(26)9-10-21(19)25/h2-6,9-10,13,16,18H,7-8,11-12,14-15H2,1H3/t16-,25+/m0/s1
InChIKeyKCVPBHRJUOIXBE-IVCQMTBJSA-N
MW497.39 g/mol
LogP4.40
Rot. Bonds6

About N-benzyl-2-[(3R)-6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]acetamide

N-benzyl-2-[(3R)-6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]acetamide (PubChem CID 118956944) has the molecular formula C25H25BrN2O4 and a molecular weight of 497.39 g/mol. Its IUPAC name is N-benzyl-2-[(3R)-6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3R)-6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]acetamide
PubChem CID118956944
Molecular FormulaC25H25BrN2O4
Molecular Weight497.39 g/mol
Exact Mass496.10
IUPAC NameN-benzyl-2-[(3R)-6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]acetamide
SMILESC[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)O[C@@]2(CCc3cc(Br)ccc32)C1=O
InChIInChI=1S/C25H25BrN2O4/c1-16(18-7-8-18)27(14-17-5-3-2-4-6-17)22(29)15-28-23(30)25(32-24(28)31)12-11-19-13-20(26)9-10-21(19)25/h2-6,9-10,13,16,18H,7-8,11-12,14-15H2,1H3/t16-,25+/m0/s1
InChIKeyKCVPBHRJUOIXBE-IVCQMTBJSA-N
XLogP4.40
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.39
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-[(3R)-6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]acetamide with MolForge

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Related Compounds

2-(6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)-N-(1-cyclopropylethyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 118957683
N-benzyl-N-(1-cyclopropylethyl)-2-(6-ethoxy-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetamide
CID 122460331
N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(methanesulfonamido)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide
CID 118958780
2-[6-[azetidin-3-yl(methyl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-benzyl-N-[(1S)-1-cyclopropylethyl]acetamide
CID 118958726
2-[(3R)-6-(1-acetylazetidin-3-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-benzyl-N-(1-cyclopropylethyl)acetamide
CID 134327496
(5R)-3-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-carboxamide
CID 118958508
N-benzyl-N-(1-cyclopropylethyl)-2-(2',4'-dioxo-6-piperazin-1-ylspiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetamide
CID 118958463
N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-(morpholin-4-ylmethyl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide
CID 118958493
N-[3-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]azetidine-3-carboxamide
CID 118957606
[1-[[3-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 118958397
N-benzyl-N-[(1S)-1-cyclopropylethyl]-2-[6-[(1,1-dioxothian-4-yl)amino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide
CID 118958458
N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-2-(diethylamino)-2-methylpropanamide
CID 135204069

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3R)-6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]acetamide?
The IUPAC name of N-benzyl-2-[(3R)-6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]acetamide (CID 118956944) is N-benzyl-2-[(3R)-6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]acetamide.
What is the SMILES notation for N-benzyl-2-[(3R)-6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]acetamide?
The canonical SMILES for N-benzyl-2-[(3R)-6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]acetamide is C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)O[C@@]2(CCc3cc(Br)ccc32)C1=O.
What is the InChIKey of N-benzyl-2-[(3R)-6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]acetamide?
The InChIKey is KCVPBHRJUOIXBE-IVCQMTBJSA-N. The full InChI is InChI=1S/C25H25BrN2O4/c1-16(18-7-8-18)27(14-17-5-3-2-4-6-17)22(29)15-28-23(30)25(32-24(28)31)12-11-19-13-20(26)9-10-21(19)25/h2-6,9-10,13,16,18H,7-8,11-12,14-15H2,1H3/t16-,25+/m0/s1.
What are the key properties of N-benzyl-2-[(3R)-6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]acetamide?
N-benzyl-2-[(3R)-6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]acetamide has a molecular weight of 497.39 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3R)-6-bromo-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]acetamide is sourced from PubChem (CID 118956944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).