N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide

C16H24N4O4 — CID 125435398

IUPACN-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCC(C)[C@@H](NC(=O)N1CCC2(CC1)COC(=O)O2)c1nccn1C
InChIInChI=1S/C16H24N4O4/c1-11(2)12(13-17-6-9-19(13)3)18-14(21)20-7-4-16(5-8-20)10-23-15(22)24-16/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H,18,21)/t12-/m1/s1
InChIKeyBTTKQKSLFJMDDH-GFCCVEGCSA-N
MW336.39 g/mol
LogP1.83
Rot. Bonds3

About N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide

N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 125435398) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID125435398
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC NameN-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCC(C)[C@@H](NC(=O)N1CCC2(CC1)COC(=O)O2)c1nccn1C
InChIInChI=1S/C16H24N4O4/c1-11(2)12(13-17-6-9-19(13)3)18-14(21)20-7-4-16(5-8-20)10-23-15(22)24-16/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H,18,21)/t12-/m1/s1
InChIKeyBTTKQKSLFJMDDH-GFCCVEGCSA-N
XLogP1.83
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide (CID 125435398) is N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide is CC(C)[C@@H](NC(=O)N1CCC2(CC1)COC(=O)O2)c1nccn1C.
What is the InChIKey of N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is BTTKQKSLFJMDDH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-11(2)12(13-17-6-9-19(13)3)18-14(21)20-7-4-16(5-8-20)10-23-15(22)24-16/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H,18,21)/t12-/m1/s1.
What are the key properties of N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 125435398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).