N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C19H28N2O2S — CID 118743575

IUPACN-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1ccc(CN2CC(C(=O)NCC3CC3)C3(CCOCC3)C2)s1
InChIInChI=1S/C19H28N2O2S/c1-14-2-5-16(24-14)11-21-12-17(18(22)20-10-15-3-4-15)19(13-21)6-8-23-9-7-19/h2,5,15,17H,3-4,6-13H2,1H3,(H,20,22)
InChIKeyOPVIFBSVMAENJW-UHFFFAOYSA-N
MW348.51 g/mol
LogP2.81
Rot. Bonds5

About N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 118743575) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID118743575
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC NameN-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1ccc(CN2CC(C(=O)NCC3CC3)C3(CCOCC3)C2)s1
InChIInChI=1S/C19H28N2O2S/c1-14-2-5-16(24-14)11-21-12-17(18(22)20-10-15-3-4-15)19(13-21)6-8-23-9-7-19/h2,5,15,17H,3-4,6-13H2,1H3,(H,20,22)
InChIKeyOPVIFBSVMAENJW-UHFFFAOYSA-N
XLogP2.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 118743575) is N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is Cc1ccc(CN2CC(C(=O)NCC3CC3)C3(CCOCC3)C2)s1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is OPVIFBSVMAENJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-14-2-5-16(24-14)11-21-12-17(18(22)20-10-15-3-4-15)19(13-21)6-8-23-9-7-19/h2,5,15,17H,3-4,6-13H2,1H3,(H,20,22).
What are the key properties of N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 348.51 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 118743575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).