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

C18H24FN3O3 — CID 91912643

IUPAC2-N-(3-fluorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
SMILESCN(C)C(=O)C1CN(C(=O)Nc2cccc(F)c2)CC12CCOCC2
InChIInChI=1S/C18H24FN3O3/c1-21(2)16(23)15-11-22(12-18(15)6-8-25-9-7-18)17(24)20-14-5-3-4-13(19)10-14/h3-5,10,15H,6-9,11-12H2,1-2H3,(H,20,24)
InChIKeyAWVDZUCODCJQEW-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.17
Rot. Bonds2

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

2-N-(3-fluorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide (PubChem CID 91912643) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-N-(3-fluorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-fluorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
PubChem CID91912643
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name2-N-(3-fluorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
SMILESCN(C)C(=O)C1CN(C(=O)Nc2cccc(F)c2)CC12CCOCC2
InChIInChI=1S/C18H24FN3O3/c1-21(2)16(23)15-11-22(12-18(15)6-8-25-9-7-18)17(24)20-14-5-3-4-13(19)10-14/h3-5,10,15H,6-9,11-12H2,1-2H3,(H,20,24)
InChIKeyAWVDZUCODCJQEW-UHFFFAOYSA-N
XLogP2.17
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3,4-dimethylphenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 91912618
2-N-(2-fluorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 91912639
(4S)-N-(3-fluorophenyl)-2-(4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 97399848
N-(3-fluorophenyl)-2-(2-thiophen-3-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 131654795
(2R,5S,6R)-8-N-(3-fluorophenyl)-2-N,2-N,6-trimethyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
CID 97406636
N-[(3-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 131642120
2-(2,4-dimethylbenzoyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912598
N-(3-fluorophenyl)-3-(N-methylanilino)azetidine-1-carboxamide
CID 23140545
2-N-(4-ethylphenyl)-4-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 131645069
3-amino-N-(3-fluorophenyl)azetidine-1-carboxamide;hydrochloride
CID 139034966
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide
CID 23140398
N-[3-[methyl(propan-2-yl)amino]phenyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 71992230

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The IUPAC name of 2-N-(3-fluorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide (CID 91912643) is 2-N-(3-fluorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3-fluorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3-fluorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide is CN(C)C(=O)C1CN(C(=O)Nc2cccc(F)c2)CC12CCOCC2.
What is the InChIKey of 2-N-(3-fluorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The InChIKey is AWVDZUCODCJQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O3/c1-21(2)16(23)15-11-22(12-18(15)6-8-25-9-7-18)17(24)20-14-5-3-4-13(19)10-14/h3-5,10,15H,6-9,11-12H2,1-2H3,(H,20,24).
What are the key properties of 2-N-(3-fluorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
2-N-(3-fluorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide has a molecular weight of 349.41 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide is sourced from PubChem (CID 91912643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).