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

C27H30N2O5 — CID 122460331

IUPACN-benzyl-N-(1-cyclopropylethyl)-2-(6-ethoxy-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetamide
SMILESCCOc1ccc2c(c1)CCC21OC(=O)N(CC(=O)N(Cc2ccccc2)C(C)C2CC2)C1=O
InChIInChI=1S/C27H30N2O5/c1-3-33-22-11-12-23-21(15-22)13-14-27(23)25(31)29(26(32)34-27)17-24(30)28(18(2)20-9-10-20)16-19-7-5-4-6-8-19/h4-8,11-12,15,18,20H,3,9-10,13-14,16-17H2,1-2H3
InChIKeyWYCQRVQFXBOZOG-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.03
Rot. Bonds8

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

N-benzyl-N-(1-cyclopropylethyl)-2-(6-ethoxy-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetamide (PubChem CID 122460331) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-benzyl-N-(1-cyclopropylethyl)-2-(6-ethoxy-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(1-cyclopropylethyl)-2-(6-ethoxy-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetamide
PubChem CID122460331
Molecular FormulaC27H30N2O5
Molecular Weight462.55 g/mol
Exact Mass462.22
IUPAC NameN-benzyl-N-(1-cyclopropylethyl)-2-(6-ethoxy-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetamide
SMILESCCOc1ccc2c(c1)CCC21OC(=O)N(CC(=O)N(Cc2ccccc2)C(C)C2CC2)C1=O
InChIInChI=1S/C27H30N2O5/c1-3-33-22-11-12-23-21(15-22)13-14-27(23)25(31)29(26(32)34-27)17-24(30)28(18(2)20-9-10-20)16-19-7-5-4-6-8-19/h4-8,11-12,15,18,20H,3,9-10,13-14,16-17H2,1-2H3
InChIKeyWYCQRVQFXBOZOG-UHFFFAOYSA-N
XLogP4.03
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-2-(6-ethoxy-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetamide?
The IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-2-(6-ethoxy-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetamide (CID 122460331) is N-benzyl-N-(1-cyclopropylethyl)-2-(6-ethoxy-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetamide.
What is the SMILES notation for N-benzyl-N-(1-cyclopropylethyl)-2-(6-ethoxy-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetamide?
The canonical SMILES for N-benzyl-N-(1-cyclopropylethyl)-2-(6-ethoxy-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetamide is CCOc1ccc2c(c1)CCC21OC(=O)N(CC(=O)N(Cc2ccccc2)C(C)C2CC2)C1=O.
What is the InChIKey of N-benzyl-N-(1-cyclopropylethyl)-2-(6-ethoxy-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetamide?
The InChIKey is WYCQRVQFXBOZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O5/c1-3-33-22-11-12-23-21(15-22)13-14-27(23)25(31)29(26(32)34-27)17-24(30)28(18(2)20-9-10-20)16-19-7-5-4-6-8-19/h4-8,11-12,15,18,20H,3,9-10,13-14,16-17H2,1-2H3.
What are the key properties of N-benzyl-N-(1-cyclopropylethyl)-2-(6-ethoxy-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetamide?
N-benzyl-N-(1-cyclopropylethyl)-2-(6-ethoxy-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetamide has a molecular weight of 462.55 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-cyclopropylethyl)-2-(6-ethoxy-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl)acetamide is sourced from PubChem (CID 122460331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).