N-methyl-2-[1-(2-methylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide

C18H27N5O4 — CID 72910920

IUPACN-methyl-2-[1-(2-methylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide
SMILESCC(C)CN1C(=O)N(CC(=O)N(C)Cc2ccon2)C(=O)C12CCNCC2
InChIInChI=1S/C18H27N5O4/c1-13(2)10-23-17(26)22(16(25)18(23)5-7-19-8-6-18)12-15(24)21(3)11-14-4-9-27-20-14/h4,9,13,19H,5-8,10-12H2,1-3H3
InChIKeyUOJQXECYFSDYCM-UHFFFAOYSA-N
MW377.45 g/mol
LogP0.68
Rot. Bonds6

About N-methyl-2-[1-(2-methylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide

N-methyl-2-[1-(2-methylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide (PubChem CID 72910920) has the molecular formula C18H27N5O4 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-methyl-2-[1-(2-methylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(2-methylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide
PubChem CID72910920
Molecular FormulaC18H27N5O4
Molecular Weight377.45 g/mol
Exact Mass377.21
IUPAC NameN-methyl-2-[1-(2-methylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide
SMILESCC(C)CN1C(=O)N(CC(=O)N(C)Cc2ccon2)C(=O)C12CCNCC2
InChIInChI=1S/C18H27N5O4/c1-13(2)10-23-17(26)22(16(25)18(23)5-7-19-8-6-18)12-15(24)21(3)11-14-4-9-27-20-14/h4,9,13,19H,5-8,10-12H2,1-3H3
InChIKeyUOJQXECYFSDYCM-UHFFFAOYSA-N
XLogP0.68
TPSA98.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(2-methylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-[1-(2-methylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide (CID 72910920) is N-methyl-2-[1-(2-methylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-[1-(2-methylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-[1-(2-methylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide is CC(C)CN1C(=O)N(CC(=O)N(C)Cc2ccon2)C(=O)C12CCNCC2.
What is the InChIKey of N-methyl-2-[1-(2-methylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide?
The InChIKey is UOJQXECYFSDYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O4/c1-13(2)10-23-17(26)22(16(25)18(23)5-7-19-8-6-18)12-15(24)21(3)11-14-4-9-27-20-14/h4,9,13,19H,5-8,10-12H2,1-3H3.
What are the key properties of N-methyl-2-[1-(2-methylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide?
N-methyl-2-[1-(2-methylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide has a molecular weight of 377.45 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(2-methylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide is sourced from PubChem (CID 72910920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).