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

C30H33N3O5 — CID 134327496

IUPAC2-[(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
SMILESCC(=O)N1CC(c2ccc3c(c2)CC[C@@]32OC(=O)N(CC(=O)N(Cc3ccccc3)C(C)C3CC3)C2=O)C1
InChIInChI=1S/C30H33N3O5/c1-19(22-8-9-22)32(15-21-6-4-3-5-7-21)27(35)18-33-28(36)30(38-29(33)37)13-12-24-14-23(10-11-26(24)30)25-16-31(17-25)20(2)34/h3-7,10-11,14,19,22,25H,8-9,12-13,15-18H2,1-2H3/t19?,30-/m1/s1
InChIKeyBYSCBAMZNRQJAV-PPRAREMJSA-N
MW515.61 g/mol
LogP3.58
Rot. Bonds7

About 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

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 (PubChem CID 134327496) has the molecular formula C30H33N3O5 and a molecular weight of 515.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID134327496
Molecular FormulaC30H33N3O5
Molecular Weight515.61 g/mol
Exact Mass515.24
IUPAC Name2-[(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
SMILESCC(=O)N1CC(c2ccc3c(c2)CC[C@@]32OC(=O)N(CC(=O)N(Cc3ccccc3)C(C)C3CC3)C2=O)C1
InChIInChI=1S/C30H33N3O5/c1-19(22-8-9-22)32(15-21-6-4-3-5-7-21)27(35)18-33-28(36)30(38-29(33)37)13-12-24-14-23(10-11-26(24)30)25-16-31(17-25)20(2)34/h3-7,10-11,14,19,22,25H,8-9,12-13,15-18H2,1-2H3/t19?,30-/m1/s1
InChIKeyBYSCBAMZNRQJAV-PPRAREMJSA-N
XLogP3.58
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.61
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
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
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
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
[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
(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-[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
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
2-[(3R)-6-amino-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1R)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 118957280

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CC(c2ccc3c(c2)CC[C@@]32OC(=O)N(CC(=O)N(Cc3ccccc3)C(C)C3CC3)C2=O)C1.
What is the InChIKey of 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?
The InChIKey is BYSCBAMZNRQJAV-PPRAREMJSA-N. The full InChI is InChI=1S/C30H33N3O5/c1-19(22-8-9-22)32(15-21-6-4-3-5-7-21)27(35)18-33-28(36)30(38-29(33)37)13-12-24-14-23(10-11-26(24)30)25-16-31(17-25)20(2)34/h3-7,10-11,14,19,22,25H,8-9,12-13,15-18H2,1-2H3/t19?,30-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 515.61 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134327496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).