N-(2-methylpropyl)-4-(2-thiophen-2-ylacetyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

C19H28N2O3S — CID 71956551

IUPACN-(2-methylpropyl)-4-(2-thiophen-2-ylacetyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCC(C)CNC(=O)C1COC2(CCCCC2)N1C(=O)Cc1cccs1
InChIInChI=1S/C19H28N2O3S/c1-14(2)12-20-18(23)16-13-24-19(8-4-3-5-9-19)21(16)17(22)11-15-7-6-10-25-15/h6-7,10,14,16H,3-5,8-9,11-13H2,1-2H3,(H,20,23)
InChIKeyXHRJFQALZNTZCI-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.95
Rot. Bonds5

About N-(2-methylpropyl)-4-(2-thiophen-2-ylacetyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

N-(2-methylpropyl)-4-(2-thiophen-2-ylacetyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (PubChem CID 71956551) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(2-thiophen-2-ylacetyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(2-thiophen-2-ylacetyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
PubChem CID71956551
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC NameN-(2-methylpropyl)-4-(2-thiophen-2-ylacetyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCC(C)CNC(=O)C1COC2(CCCCC2)N1C(=O)Cc1cccs1
InChIInChI=1S/C19H28N2O3S/c1-14(2)12-20-18(23)16-13-24-19(8-4-3-5-9-19)21(16)17(22)11-15-7-6-10-25-15/h6-7,10,14,16H,3-5,8-9,11-13H2,1-2H3,(H,20,23)
InChIKeyXHRJFQALZNTZCI-UHFFFAOYSA-N
XLogP2.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-methylpiperazine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decan-4-yl]-2-thiophen-2-ylethanone
CID 83283786
N-(2-methoxyethyl)-4-(2-phenylacetyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71955880
(3R)-N-benzyl-4-(4-methylbenzoyl)-8-(2-thiophen-2-ylacetyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138070
(3S,5R,7R)-4-(2,6-dimethoxybenzoyl)-7-methyl-N-(2-methylpropyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 97478096
(3S)-8-(3,3-dimethylbutanoyl)-4-(4-methoxybenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137031
8-(1,3-benzodioxole-5-carbonyl)-4-benzoyl-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42820937
8-(2-fluorobenzoyl)-4-(4-methylbenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71954934
(3R)-8-(3-chlorobenzoyl)-4-(3-fluorobenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138602
(3S)-8-(2,4-difluorobenzoyl)-4-(4-fluorobenzoyl)-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93136876
4-(4-ethylbenzoyl)-N-(2-methoxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71956686
(2R,3S)-5-(3-methylbutanoyl)-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493377
methyl 1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclohexane-1-carboxylate
CID 75484639

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(2-thiophen-2-ylacetyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-4-(2-thiophen-2-ylacetyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (CID 71956551) is N-(2-methylpropyl)-4-(2-thiophen-2-ylacetyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-4-(2-thiophen-2-ylacetyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-4-(2-thiophen-2-ylacetyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is CC(C)CNC(=O)C1COC2(CCCCC2)N1C(=O)Cc1cccs1.
What is the InChIKey of N-(2-methylpropyl)-4-(2-thiophen-2-ylacetyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is XHRJFQALZNTZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-14(2)12-20-18(23)16-13-24-19(8-4-3-5-9-19)21(16)17(22)11-15-7-6-10-25-15/h6-7,10,14,16H,3-5,8-9,11-13H2,1-2H3,(H,20,23).
What are the key properties of N-(2-methylpropyl)-4-(2-thiophen-2-ylacetyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
N-(2-methylpropyl)-4-(2-thiophen-2-ylacetyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 364.51 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(2-thiophen-2-ylacetyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 71956551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).