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

C28H32N4O5 — CID 135203853

IUPACN-(1-cyclopropylethyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2cccc(C)c2)C(C)C2CC2)C1=O
InChIInChI=1S/C28H32N4O5/c1-17-5-4-6-19(13-17)15-31(18(2)20-7-8-20)24(33)16-32-25(34)28(37-27(32)36)12-11-21-14-22(9-10-23(21)28)30-26(35)29-3/h4-6,9-10,13-14,18,20H,7-8,11-12,15-16H2,1-3H3,(H2,29,30,35)/t18?,28-/m1/s1
InChIKeyFRZMIOUOUJHNAM-VZPMCMERSA-N
MW504.59 g/mol
LogP3.69
Rot. Bonds7

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

N-(1-cyclopropylethyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 135203853) has the molecular formula C28H32N4O5 and a molecular weight of 504.59 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID135203853
Molecular FormulaC28H32N4O5
Molecular Weight504.59 g/mol
Exact Mass504.24
IUPAC NameN-(1-cyclopropylethyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2cccc(C)c2)C(C)C2CC2)C1=O
InChIInChI=1S/C28H32N4O5/c1-17-5-4-6-19(13-17)15-31(18(2)20-7-8-20)24(33)16-32-25(34)28(37-27(32)36)12-11-21-14-22(9-10-23(21)28)30-26(35)29-3/h4-6,9-10,13-14,18,20H,7-8,11-12,15-16H2,1-3H3,(H2,29,30,35)/t18?,28-/m1/s1
InChIKeyFRZMIOUOUJHNAM-VZPMCMERSA-N
XLogP3.69
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.59
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(3-methylphenyl)methyl]acetamide (CID 135203853) is N-(1-cyclopropylethyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(3-methylphenyl)methyl]acetamide is CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2cccc(C)c2)C(C)C2CC2)C1=O.
What is the InChIKey of N-(1-cyclopropylethyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is FRZMIOUOUJHNAM-VZPMCMERSA-N. The full InChI is InChI=1S/C28H32N4O5/c1-17-5-4-6-19(13-17)15-31(18(2)20-7-8-20)24(33)16-32-25(34)28(37-27(32)36)12-11-21-14-22(9-10-23(21)28)30-26(35)29-3/h4-6,9-10,13-14,18,20H,7-8,11-12,15-16H2,1-3H3,(H2,29,30,35)/t18?,28-/m1/s1.
What are the key properties of N-(1-cyclopropylethyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(3-methylphenyl)methyl]acetamide?
N-(1-cyclopropylethyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 504.59 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 135203853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).