N-methyl-2-[4-oxo-1-phenyl-8-(4-propan-2-ylcyclohexyl)-2,3,8-triazaspiro[4.5]dec-1-en-3-yl]acetamide

C25H36N4O2 — CID 46879537

IUPACN-methyl-2-[4-oxo-1-phenyl-8-(4-propan-2-ylcyclohexyl)-2,3,8-triazaspiro[4.5]dec-1-en-3-yl]acetamide
SMILESCNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCC(C(C)C)CC3)CC2)C1=O
InChIInChI=1S/C25H36N4O2/c1-18(2)19-9-11-21(12-10-19)28-15-13-25(14-16-28)23(20-7-5-4-6-8-20)27-29(24(25)31)17-22(30)26-3/h4-8,18-19,21H,9-17H2,1-3H3,(H,26,30)
InChIKeyRPOIPEFQICFLBC-UHFFFAOYSA-N
MW424.59 g/mol
LogP3.28
Rot. Bonds5

About N-methyl-2-[4-oxo-1-phenyl-8-(4-propan-2-ylcyclohexyl)-2,3,8-triazaspiro[4.5]dec-1-en-3-yl]acetamide

N-methyl-2-[4-oxo-1-phenyl-8-(4-propan-2-ylcyclohexyl)-2,3,8-triazaspiro[4.5]dec-1-en-3-yl]acetamide (PubChem CID 46879537) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-methyl-2-[4-oxo-1-phenyl-8-(4-propan-2-ylcyclohexyl)-2,3,8-triazaspiro[4.5]dec-1-en-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-oxo-1-phenyl-8-(4-propan-2-ylcyclohexyl)-2,3,8-triazaspiro[4.5]dec-1-en-3-yl]acetamide
PubChem CID46879537
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC NameN-methyl-2-[4-oxo-1-phenyl-8-(4-propan-2-ylcyclohexyl)-2,3,8-triazaspiro[4.5]dec-1-en-3-yl]acetamide
SMILESCNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCC(C(C)C)CC3)CC2)C1=O
InChIInChI=1S/C25H36N4O2/c1-18(2)19-9-11-21(12-10-19)28-15-13-25(14-16-28)23(20-7-5-4-6-8-20)27-29(24(25)31)17-22(30)26-3/h4-8,18-19,21H,9-17H2,1-3H3,(H,26,30)
InChIKeyRPOIPEFQICFLBC-UHFFFAOYSA-N
XLogP3.28
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-oxo-1-phenyl-8-(4-propan-2-ylcyclohexyl)-2,3,8-triazaspiro[4.5]dec-1-en-3-yl]acetamide?
The IUPAC name of N-methyl-2-[4-oxo-1-phenyl-8-(4-propan-2-ylcyclohexyl)-2,3,8-triazaspiro[4.5]dec-1-en-3-yl]acetamide (CID 46879537) is N-methyl-2-[4-oxo-1-phenyl-8-(4-propan-2-ylcyclohexyl)-2,3,8-triazaspiro[4.5]dec-1-en-3-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-oxo-1-phenyl-8-(4-propan-2-ylcyclohexyl)-2,3,8-triazaspiro[4.5]dec-1-en-3-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-oxo-1-phenyl-8-(4-propan-2-ylcyclohexyl)-2,3,8-triazaspiro[4.5]dec-1-en-3-yl]acetamide is CNC(=O)CN1N=C(c2ccccc2)C2(CCN(C3CCC(C(C)C)CC3)CC2)C1=O.
What is the InChIKey of N-methyl-2-[4-oxo-1-phenyl-8-(4-propan-2-ylcyclohexyl)-2,3,8-triazaspiro[4.5]dec-1-en-3-yl]acetamide?
The InChIKey is RPOIPEFQICFLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O2/c1-18(2)19-9-11-21(12-10-19)28-15-13-25(14-16-28)23(20-7-5-4-6-8-20)27-29(24(25)31)17-22(30)26-3/h4-8,18-19,21H,9-17H2,1-3H3,(H,26,30).
What are the key properties of N-methyl-2-[4-oxo-1-phenyl-8-(4-propan-2-ylcyclohexyl)-2,3,8-triazaspiro[4.5]dec-1-en-3-yl]acetamide?
N-methyl-2-[4-oxo-1-phenyl-8-(4-propan-2-ylcyclohexyl)-2,3,8-triazaspiro[4.5]dec-1-en-3-yl]acetamide has a molecular weight of 424.59 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-oxo-1-phenyl-8-(4-propan-2-ylcyclohexyl)-2,3,8-triazaspiro[4.5]dec-1-en-3-yl]acetamide is sourced from PubChem (CID 46879537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).