N-(cyclopropylmethyl)-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C19H26N2O3S — CID 118739454

IUPACN-(cyclopropylmethyl)-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCC1CC1)C1CN(C(=O)Cc2cccs2)CC12CCOCC2
InChIInChI=1S/C19H26N2O3S/c22-17(10-15-2-1-9-25-15)21-12-16(18(23)20-11-14-3-4-14)19(13-21)5-7-24-8-6-19/h1-2,9,14,16H,3-8,10-13H2,(H,20,23)
InChIKeyLBTFVPJZHLDSNE-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.07
Rot. Bonds5

About N-(cyclopropylmethyl)-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

N-(cyclopropylmethyl)-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 118739454) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID118739454
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC NameN-(cyclopropylmethyl)-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCC1CC1)C1CN(C(=O)Cc2cccs2)CC12CCOCC2
InChIInChI=1S/C19H26N2O3S/c22-17(10-15-2-1-9-25-15)21-12-16(18(23)20-11-14-3-4-14)19(13-21)5-7-24-8-6-19/h1-2,9,14,16H,3-8,10-13H2,(H,20,23)
InChIKeyLBTFVPJZHLDSNE-UHFFFAOYSA-N
XLogP2.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 118739454) is N-(cyclopropylmethyl)-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is O=C(NCC1CC1)C1CN(C(=O)Cc2cccs2)CC12CCOCC2.
What is the InChIKey of N-(cyclopropylmethyl)-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is LBTFVPJZHLDSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c22-17(10-15-2-1-9-25-15)21-12-16(18(23)20-11-14-3-4-14)19(13-21)5-7-24-8-6-19/h1-2,9,14,16H,3-8,10-13H2,(H,20,23).
What are the key properties of N-(cyclopropylmethyl)-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N-(cyclopropylmethyl)-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 362.50 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 118739454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).