N-[(3-fluorophenyl)methyl]-7-(3-methoxypropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

C20H28FN3O3 — CID 72847806

IUPACN-[(3-fluorophenyl)methyl]-7-(3-methoxypropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
SMILESCOCCCN1CCCC2(CCN(C(=O)NCc3cccc(F)c3)C2)C1=O
InChIInChI=1S/C20H28FN3O3/c1-27-12-4-10-23-9-3-7-20(18(23)25)8-11-24(15-20)19(26)22-14-16-5-2-6-17(21)13-16/h2,5-6,13H,3-4,7-12,14-15H2,1H3,(H,22,26)
InChIKeyHHZJPTZPSVFVSF-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.39
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-7-(3-methoxypropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

N-[(3-fluorophenyl)methyl]-7-(3-methoxypropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 72847806) has the molecular formula C20H28FN3O3 and a molecular weight of 377.46 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-7-(3-methoxypropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-7-(3-methoxypropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
PubChem CID72847806
Molecular FormulaC20H28FN3O3
Molecular Weight377.46 g/mol
Exact Mass377.21
IUPAC NameN-[(3-fluorophenyl)methyl]-7-(3-methoxypropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
SMILESCOCCCN1CCCC2(CCN(C(=O)NCc3cccc(F)c3)C2)C1=O
InChIInChI=1S/C20H28FN3O3/c1-27-12-4-10-23-9-3-7-20(18(23)25)8-11-24(15-20)19(26)22-14-16-5-2-6-17(21)13-16/h2,5-6,13H,3-4,7-12,14-15H2,1H3,(H,22,26)
InChIKeyHHZJPTZPSVFVSF-UHFFFAOYSA-N
XLogP2.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-7-(3-methoxypropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-7-(3-methoxypropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide (CID 72847806) is N-[(3-fluorophenyl)methyl]-7-(3-methoxypropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-7-(3-methoxypropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-7-(3-methoxypropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide is COCCCN1CCCC2(CCN(C(=O)NCc3cccc(F)c3)C2)C1=O.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-7-(3-methoxypropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is HHZJPTZPSVFVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O3/c1-27-12-4-10-23-9-3-7-20(18(23)25)8-11-24(15-20)19(26)22-14-16-5-2-6-17(21)13-16/h2,5-6,13H,3-4,7-12,14-15H2,1H3,(H,22,26).
What are the key properties of N-[(3-fluorophenyl)methyl]-7-(3-methoxypropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?
N-[(3-fluorophenyl)methyl]-7-(3-methoxypropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 377.46 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-7-(3-methoxypropyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 72847806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).