N-benzyl-2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-(2-hydroxyethyl)acetamide

C27H38N2O5 — CID 6609485

IUPACN-benzyl-2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-(2-hydroxyethyl)acetamide
SMILESO=C1CCCCC=CC[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NC2(CCCC2)CO1
InChIInChI=1S/C27H38N2O5/c30-18-17-29(20-22-11-5-4-6-12-22)24(31)19-23-13-7-2-1-3-8-14-25(32)34-21-27(28-26(23)33)15-9-10-16-27/h2,4-7,11-12,23,30H,1,3,8-10,13-21H2,(H,28,33)/t23-/m1/s1
InChIKeyHWPQCYVPQYTFEB-HSZRJFAPSA-N
MW470.61 g/mol
LogP3.51
Rot. Bonds6

About N-benzyl-2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-(2-hydroxyethyl)acetamide

N-benzyl-2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 6609485) has the molecular formula C27H38N2O5 and a molecular weight of 470.61 g/mol. Its IUPAC name is N-benzyl-2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID6609485
Molecular FormulaC27H38N2O5
Molecular Weight470.61 g/mol
Exact Mass470.28
IUPAC NameN-benzyl-2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-(2-hydroxyethyl)acetamide
SMILESO=C1CCCCC=CC[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NC2(CCCC2)CO1
InChIInChI=1S/C27H38N2O5/c30-18-17-29(20-22-11-5-4-6-12-22)24(31)19-23-13-7-2-1-3-8-14-25(32)34-21-27(28-26(23)33)15-9-10-16-27/h2,4-7,11-12,23,30H,1,3,8-10,13-21H2,(H,28,33)/t23-/m1/s1
InChIKeyHWPQCYVPQYTFEB-HSZRJFAPSA-N
XLogP3.51
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-(7,14-dioxo-15-oxa-6-azaspiro[4.11]hexadec-10-en-8-yl)-N-(2-hydroxyethyl)acetamide
CID 5141852
2-(7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 3658698
N-benzyl-2-(3-benzyl-5,14-dioxo-1-oxa-4-azacyclotetradec-8-en-6-yl)-N-(2-hydroxyethyl)acetamide
CID 5081476
N-benzyl-2-[(3S,6R)-5,14-dioxo-3-propan-2-yl-1-oxa-4-azacyclotetradec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide
CID 6609381
N-benzyl-2-[(3R,6R)-3-(benzylsulfanylmethyl)-5,14-dioxo-1-oxa-4-azacyclotetradec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide
CID 6609377
N-benzyl-2-(5,14-dioxo-2-phenyl-1-oxa-4-azacyclotetradec-8-en-6-yl)-N-(2-hydroxyethyl)acetamide
CID 3690775
N-benzyl-2-[(3S,6R)-3-(cyclohexylmethyl)-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide
CID 6608782
2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide
CID 6609473
N-benzyl-2-(2,11-dioxo-12-oxa-1-azabicyclo[12.3.0]heptadec-5-en-3-yl)-N-(2-hydroxyethyl)acetamide
CID 3591249
8-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-17-oxa-6-azaspiro[4.13]octadec-10-ene-7,16-dione
CID 5224778
N-benzyl-2-[3-(cyclohexylmethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide
CID 3316974
N-benzyl-2-[(3S,6R,13R)-13-benzyl-5,14-dioxo-3-propan-2-yl-1-oxa-4-azacyclotetradec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide
CID 6609382

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of N-benzyl-2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-(2-hydroxyethyl)acetamide (CID 6609485) is N-benzyl-2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for N-benzyl-2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-(2-hydroxyethyl)acetamide is O=C1CCCCC=CC[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NC2(CCCC2)CO1.
What is the InChIKey of N-benzyl-2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is HWPQCYVPQYTFEB-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H38N2O5/c30-18-17-29(20-22-11-5-4-6-12-22)24(31)19-23-13-7-2-1-3-8-14-25(32)34-21-27(28-26(23)33)15-9-10-16-27/h2,4-7,11-12,23,30H,1,3,8-10,13-21H2,(H,28,33)/t23-/m1/s1.
What are the key properties of N-benzyl-2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-(2-hydroxyethyl)acetamide?
N-benzyl-2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 470.61 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 6609485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).