N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N'-[(4-methylphenyl)methyl]oxamide

C18H24N2O4 — CID 18583974

IUPACN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N'-[(4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NCC2COC3(CCCC3)O2)cc1
InChIInChI=1S/C18H24N2O4/c1-13-4-6-14(7-5-13)10-19-16(21)17(22)20-11-15-12-23-18(24-15)8-2-3-9-18/h4-7,15H,2-3,8-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyBKTUNVQMKKRXEF-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.41
Rot. Bonds4

About N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N'-[(4-methylphenyl)methyl]oxamide

N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N'-[(4-methylphenyl)methyl]oxamide (PubChem CID 18583974) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N'-[(4-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N'-[(4-methylphenyl)methyl]oxamide
PubChem CID18583974
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N'-[(4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NCC2COC3(CCCC3)O2)cc1
InChIInChI=1S/C18H24N2O4/c1-13-4-6-14(7-5-13)10-19-16(21)17(22)20-11-15-12-23-18(24-15)8-2-3-9-18/h4-7,15H,2-3,8-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyBKTUNVQMKKRXEF-UHFFFAOYSA-N
XLogP1.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N'-[(4-methylphenyl)methyl]oxamide?
The IUPAC name of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N'-[(4-methylphenyl)methyl]oxamide (CID 18583974) is N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N'-[(4-methylphenyl)methyl]oxamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N'-[(4-methylphenyl)methyl]oxamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N'-[(4-methylphenyl)methyl]oxamide is Cc1ccc(CNC(=O)C(=O)NCC2COC3(CCCC3)O2)cc1.
What is the InChIKey of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N'-[(4-methylphenyl)methyl]oxamide?
The InChIKey is BKTUNVQMKKRXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-13-4-6-14(7-5-13)10-19-16(21)17(22)20-11-15-12-23-18(24-15)8-2-3-9-18/h4-7,15H,2-3,8-12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N'-[(4-methylphenyl)methyl]oxamide?
N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N'-[(4-methylphenyl)methyl]oxamide has a molecular weight of 332.40 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N'-[(4-methylphenyl)methyl]oxamide is sourced from PubChem (CID 18583974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).