N-benzyl-2-[(5R)-6'-(methylcarbamoylamino)-2,7'-dioxospiro[1,3-oxazolidine-5,3'-2,6-dihydro-1H-indene]-3-yl]-N-(1-pyridin-2-ylethyl)acetamide

C29H31N5O5 — CID 122459956

IUPACN-benzyl-2-[(5R)-6'-(methylcarbamoylamino)-2,7'-dioxospiro[1,3-oxazolidine-5,3'-2,6-dihydro-1H-indene]-3-yl]-N-(1-pyridin-2-ylethyl)acetamide
SMILESCNC(=O)NC1C=CC2=C(CC[C@]23CN(CC(=O)N(Cc2ccccc2)C(C)c2ccccn2)C(=O)O3)C1=O
InChIInChI=1S/C29H31N5O5/c1-19(23-10-6-7-15-31-23)34(16-20-8-4-3-5-9-20)25(35)17-33-18-29(39-28(33)38)14-13-21-22(29)11-12-24(26(21)36)32-27(37)30-2/h3-12,15,19,24H,13-14,16-18H2,1-2H3,(H2,30,32,37)/t19?,24?,29-/m0/s1
InChIKeyQLIYKZYSPCJOBJ-YSPSSQTKSA-N
MW529.60 g/mol
LogP2.89
Rot. Bonds7

About N-benzyl-2-[(5R)-6'-(methylcarbamoylamino)-2,7'-dioxospiro[1,3-oxazolidine-5,3'-2,6-dihydro-1H-indene]-3-yl]-N-(1-pyridin-2-ylethyl)acetamide

N-benzyl-2-[(5R)-6'-(methylcarbamoylamino)-2,7'-dioxospiro[1,3-oxazolidine-5,3'-2,6-dihydro-1H-indene]-3-yl]-N-(1-pyridin-2-ylethyl)acetamide (PubChem CID 122459956) has the molecular formula C29H31N5O5 and a molecular weight of 529.60 g/mol. Its IUPAC name is N-benzyl-2-[(5R)-6'-(methylcarbamoylamino)-2,7'-dioxospiro[1,3-oxazolidine-5,3'-2,6-dihydro-1H-indene]-3-yl]-N-(1-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(5R)-6'-(methylcarbamoylamino)-2,7'-dioxospiro[1,3-oxazolidine-5,3'-2,6-dihydro-1H-indene]-3-yl]-N-(1-pyridin-2-ylethyl)acetamide
PubChem CID122459956
Molecular FormulaC29H31N5O5
Molecular Weight529.60 g/mol
Exact Mass529.23
IUPAC NameN-benzyl-2-[(5R)-6'-(methylcarbamoylamino)-2,7'-dioxospiro[1,3-oxazolidine-5,3'-2,6-dihydro-1H-indene]-3-yl]-N-(1-pyridin-2-ylethyl)acetamide
SMILESCNC(=O)NC1C=CC2=C(CC[C@]23CN(CC(=O)N(Cc2ccccc2)C(C)c2ccccn2)C(=O)O3)C1=O
InChIInChI=1S/C29H31N5O5/c1-19(23-10-6-7-15-31-23)34(16-20-8-4-3-5-9-20)25(35)17-33-18-29(39-28(33)38)14-13-21-22(29)11-12-24(26(21)36)32-27(37)30-2/h3-12,15,19,24H,13-14,16-18H2,1-2H3,(H2,30,32,37)/t19?,24?,29-/m0/s1
InChIKeyQLIYKZYSPCJOBJ-YSPSSQTKSA-N
XLogP2.89
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.60
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(5R)-6'-(methylcarbamoylamino)-2,7'-dioxospiro[1,3-oxazolidine-5,3'-2,6-dihydro-1H-indene]-3-yl]-N-(1-pyridin-2-ylethyl)acetamide?
The IUPAC name of N-benzyl-2-[(5R)-6'-(methylcarbamoylamino)-2,7'-dioxospiro[1,3-oxazolidine-5,3'-2,6-dihydro-1H-indene]-3-yl]-N-(1-pyridin-2-ylethyl)acetamide (CID 122459956) is N-benzyl-2-[(5R)-6'-(methylcarbamoylamino)-2,7'-dioxospiro[1,3-oxazolidine-5,3'-2,6-dihydro-1H-indene]-3-yl]-N-(1-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[(5R)-6'-(methylcarbamoylamino)-2,7'-dioxospiro[1,3-oxazolidine-5,3'-2,6-dihydro-1H-indene]-3-yl]-N-(1-pyridin-2-ylethyl)acetamide?
The canonical SMILES for N-benzyl-2-[(5R)-6'-(methylcarbamoylamino)-2,7'-dioxospiro[1,3-oxazolidine-5,3'-2,6-dihydro-1H-indene]-3-yl]-N-(1-pyridin-2-ylethyl)acetamide is CNC(=O)NC1C=CC2=C(CC[C@]23CN(CC(=O)N(Cc2ccccc2)C(C)c2ccccn2)C(=O)O3)C1=O.
What is the InChIKey of N-benzyl-2-[(5R)-6'-(methylcarbamoylamino)-2,7'-dioxospiro[1,3-oxazolidine-5,3'-2,6-dihydro-1H-indene]-3-yl]-N-(1-pyridin-2-ylethyl)acetamide?
The InChIKey is QLIYKZYSPCJOBJ-YSPSSQTKSA-N. The full InChI is InChI=1S/C29H31N5O5/c1-19(23-10-6-7-15-31-23)34(16-20-8-4-3-5-9-20)25(35)17-33-18-29(39-28(33)38)14-13-21-22(29)11-12-24(26(21)36)32-27(37)30-2/h3-12,15,19,24H,13-14,16-18H2,1-2H3,(H2,30,32,37)/t19?,24?,29-/m0/s1.
What are the key properties of N-benzyl-2-[(5R)-6'-(methylcarbamoylamino)-2,7'-dioxospiro[1,3-oxazolidine-5,3'-2,6-dihydro-1H-indene]-3-yl]-N-(1-pyridin-2-ylethyl)acetamide?
N-benzyl-2-[(5R)-6'-(methylcarbamoylamino)-2,7'-dioxospiro[1,3-oxazolidine-5,3'-2,6-dihydro-1H-indene]-3-yl]-N-(1-pyridin-2-ylethyl)acetamide has a molecular weight of 529.60 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(5R)-6'-(methylcarbamoylamino)-2,7'-dioxospiro[1,3-oxazolidine-5,3'-2,6-dihydro-1H-indene]-3-yl]-N-(1-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 122459956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).