N-methyl-7-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C17H25N3O2S — CID 131653729

About N-methyl-7-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

N-methyl-7-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 131653729) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-methyl-7-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

• Compound Name: N-methyl-7-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• PubChem CID: 131653729
• Molecular Formula: C17H25N3O2S
• Molecular Weight: 335.47 g/mol
• Exact Mass: 335.17
• IUPAC Name: N-methyl-7-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• SMILES: Cc1ccc(CN2CCC3(CC(C(=O)N(C)C(C)C)=NO3)C2)s1
• InChI: InChI=1S/C17H25N3O2S/c1-12(2)19(4)16(21)15-9-17(22-18-15)7-8-20(11-17)10-14-6-5-13(3)23-14/h5-6,12H,7-11H2,1-4H3
• InChIKey: LZEDTEVTCFZQJN-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 45.14 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.47
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-methyl-7-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The IUPAC name of N-methyl-7-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 131653729) is N-methyl-7-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

What is the SMILES notation for N-methyl-7-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The canonical SMILES for N-methyl-7-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is Cc1ccc(CN2CCC3(CC(C(=O)N(C)C(C)C)=NO3)C2)s1.

What is the InChIKey of N-methyl-7-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The InChIKey is LZEDTEVTCFZQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-12(2)19(4)16(21)15-9-17(22-18-15)7-8-20(11-17)10-14-6-5-13(3)23-14/h5-6,12H,7-11H2,1-4H3.

What are the key properties of N-methyl-7-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

N-methyl-7-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-7-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 131653729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).