N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide

C24H31FN4O2 — CID 135209737

IUPACN-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOCCN1CCC2(CCN(C(=O)Nc3cc(-c4ccc(F)cc4)ccc3N)CC2)C1
InChIInChI=1S/C24H31FN4O2/c1-31-15-14-28-11-8-24(17-28)9-12-29(13-10-24)23(30)27-22-16-19(4-7-21(22)26)18-2-5-20(25)6-3-18/h2-7,16H,8-15,17,26H2,1H3,(H,27,30)
InChIKeyUFWACKXQUQQSJS-UHFFFAOYSA-N
MW426.54 g/mol
LogP4.04
Rot. Bonds5

About N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide

N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 135209737) has the molecular formula C24H31FN4O2 and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID135209737
Molecular FormulaC24H31FN4O2
Molecular Weight426.54 g/mol
Exact Mass426.24
IUPAC NameN-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOCCN1CCC2(CCN(C(=O)Nc3cc(-c4ccc(F)cc4)ccc3N)CC2)C1
InChIInChI=1S/C24H31FN4O2/c1-31-15-14-28-11-8-24(17-28)9-12-29(13-10-24)23(30)27-22-16-19(4-7-21(22)26)18-2-5-20(25)6-3-18/h2-7,16H,8-15,17,26H2,1H3,(H,27,30)
InChIKeyUFWACKXQUQQSJS-UHFFFAOYSA-N
XLogP4.04
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide (CID 135209737) is N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide is COCCN1CCC2(CCN(C(=O)Nc3cc(-c4ccc(F)cc4)ccc3N)CC2)C1.
What is the InChIKey of N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is UFWACKXQUQQSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O2/c1-31-15-14-28-11-8-24(17-28)9-12-29(13-10-24)23(30)27-22-16-19(4-7-21(22)26)18-2-5-20(25)6-3-18/h2-7,16H,8-15,17,26H2,1H3,(H,27,30).
What are the key properties of N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 135209737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).