2-N-(3-fluoro-4-methylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide

C19H26FN3O3 — CID 91912636

IUPAC2-N-(3-fluoro-4-methylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
SMILESCc1ccc(NC(=O)N2CC(C(=O)N(C)C)C3(CCOCC3)C2)cc1F
InChIInChI=1S/C19H26FN3O3/c1-13-4-5-14(10-16(13)20)21-18(25)23-11-15(17(24)22(2)3)19(12-23)6-8-26-9-7-19/h4-5,10,15H,6-9,11-12H2,1-3H3,(H,21,25)
InChIKeyKXNHSXKFTYREOL-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.48
Rot. Bonds2

About 2-N-(3-fluoro-4-methylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide

2-N-(3-fluoro-4-methylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide (PubChem CID 91912636) has the molecular formula C19H26FN3O3 and a molecular weight of 363.43 g/mol. Its IUPAC name is 2-N-(3-fluoro-4-methylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-fluoro-4-methylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
PubChem CID91912636
Molecular FormulaC19H26FN3O3
Molecular Weight363.43 g/mol
Exact Mass363.20
IUPAC Name2-N-(3-fluoro-4-methylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
SMILESCc1ccc(NC(=O)N2CC(C(=O)N(C)C)C3(CCOCC3)C2)cc1F
InChIInChI=1S/C19H26FN3O3/c1-13-4-5-14(10-16(13)20)21-18(25)23-11-15(17(24)22(2)3)19(12-23)6-8-26-9-7-19/h4-5,10,15H,6-9,11-12H2,1-3H3,(H,21,25)
InChIKeyKXNHSXKFTYREOL-UHFFFAOYSA-N
XLogP2.48
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluoro-4-methylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The IUPAC name of 2-N-(3-fluoro-4-methylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide (CID 91912636) is 2-N-(3-fluoro-4-methylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3-fluoro-4-methylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3-fluoro-4-methylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide is Cc1ccc(NC(=O)N2CC(C(=O)N(C)C)C3(CCOCC3)C2)cc1F.
What is the InChIKey of 2-N-(3-fluoro-4-methylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The InChIKey is KXNHSXKFTYREOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3/c1-13-4-5-14(10-16(13)20)21-18(25)23-11-15(17(24)22(2)3)19(12-23)6-8-26-9-7-19/h4-5,10,15H,6-9,11-12H2,1-3H3,(H,21,25).
What are the key properties of 2-N-(3-fluoro-4-methylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
2-N-(3-fluoro-4-methylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide has a molecular weight of 363.43 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluoro-4-methylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide is sourced from PubChem (CID 91912636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).