3-(4-chlorophenyl)-2-methyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide

C18H23ClN4O — CID 24733336

IUPAC3-(4-chlorophenyl)-2-methyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
SMILESCC1=NC2(CCN(C(=O)NC(C)C)CC2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN4O/c1-12(2)20-17(24)23-10-8-18(9-11-23)21-13(3)16(22-18)14-4-6-15(19)7-5-14/h4-7,12H,8-11H2,1-3H3,(H,20,24)
InChIKeyIAENVCJPHQYODI-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.51
Rot. Bonds2

About 3-(4-chlorophenyl)-2-methyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide

3-(4-chlorophenyl)-2-methyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide (PubChem CID 24733336) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-methyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-methyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
PubChem CID24733336
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name3-(4-chlorophenyl)-2-methyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
SMILESCC1=NC2(CCN(C(=O)NC(C)C)CC2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN4O/c1-12(2)20-17(24)23-10-8-18(9-11-23)21-13(3)16(22-18)14-4-6-15(19)7-5-14/h4-7,12H,8-11H2,1-3H3,(H,20,24)
InChIKeyIAENVCJPHQYODI-UHFFFAOYSA-N
XLogP3.51
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-methyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-2-methyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide (CID 24733336) is 3-(4-chlorophenyl)-2-methyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-2-methyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-2-methyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide is CC1=NC2(CCN(C(=O)NC(C)C)CC2)N=C1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-methyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide?
The InChIKey is IAENVCJPHQYODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-12(2)20-17(24)23-10-8-18(9-11-23)21-13(3)16(22-18)14-4-6-15(19)7-5-14/h4-7,12H,8-11H2,1-3H3,(H,20,24).
What are the key properties of 3-(4-chlorophenyl)-2-methyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide?
3-(4-chlorophenyl)-2-methyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-methyl-N-propan-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide is sourced from PubChem (CID 24733336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).