2-acetyl-8-(benzylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C19H25N3O4 — CID 72841671

IUPAC2-acetyl-8-(benzylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCC(=O)N1CC2(CCN(C(=O)NCc3ccccc3)CC2)CC1C(=O)O
InChIInChI=1S/C19H25N3O4/c1-14(23)22-13-19(11-16(22)17(24)25)7-9-21(10-8-19)18(26)20-12-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3,(H,20,26)(H,24,25)
InChIKeyZHALCBZNVJHQRJ-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.68
Rot. Bonds3

About 2-acetyl-8-(benzylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

2-acetyl-8-(benzylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 72841671) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-acetyl-8-(benzylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name2-acetyl-8-(benzylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID72841671
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name2-acetyl-8-(benzylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCC(=O)N1CC2(CCN(C(=O)NCc3ccccc3)CC2)CC1C(=O)O
InChIInChI=1S/C19H25N3O4/c1-14(23)22-13-19(11-16(22)17(24)25)7-9-21(10-8-19)18(26)20-12-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3,(H,20,26)(H,24,25)
InChIKeyZHALCBZNVJHQRJ-UHFFFAOYSA-N
XLogP1.68
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-8-(benzylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 2-acetyl-8-(benzylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 72841671) is 2-acetyl-8-(benzylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 2-acetyl-8-(benzylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 2-acetyl-8-(benzylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CC(=O)N1CC2(CCN(C(=O)NCc3ccccc3)CC2)CC1C(=O)O.
What is the InChIKey of 2-acetyl-8-(benzylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is ZHALCBZNVJHQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-14(23)22-13-19(11-16(22)17(24)25)7-9-21(10-8-19)18(26)20-12-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3,(H,20,26)(H,24,25).
What are the key properties of 2-acetyl-8-(benzylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
2-acetyl-8-(benzylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 359.43 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-8-(benzylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 72841671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).