10-N-benzyl-4-N-(2,4-difluorophenyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4,10-dicarboxamide

C22H24F2N4O4 — CID 171318547

IUPAC10-N-benzyl-4-N-(2,4-difluorophenyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4,10-dicarboxamide
SMILESO=C(NCc1ccccc1)N1CCOC2(C1)CN(C(=O)Nc1ccc(F)cc1F)CCO2
InChIInChI=1S/C22H24F2N4O4/c23-17-6-7-19(18(24)12-17)26-21(30)28-9-11-32-22(15-28)14-27(8-10-31-22)20(29)25-13-16-4-2-1-3-5-16/h1-7,12H,8-11,13-15H2,(H,25,29)(H,26,30)
InChIKeyBXZGMDKEEKJDRG-UHFFFAOYSA-N
MW446.45 g/mol
LogP2.77
Rot. Bonds3

About 10-N-benzyl-4-N-(2,4-difluorophenyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4,10-dicarboxamide

10-N-benzyl-4-N-(2,4-difluorophenyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4,10-dicarboxamide (PubChem CID 171318547) has the molecular formula C22H24F2N4O4 and a molecular weight of 446.45 g/mol. Its IUPAC name is 10-N-benzyl-4-N-(2,4-difluorophenyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4,10-dicarboxamide.

Molecular Properties

Compound Name10-N-benzyl-4-N-(2,4-difluorophenyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4,10-dicarboxamide
PubChem CID171318547
Molecular FormulaC22H24F2N4O4
Molecular Weight446.45 g/mol
Exact Mass446.18
IUPAC Name10-N-benzyl-4-N-(2,4-difluorophenyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4,10-dicarboxamide
SMILESO=C(NCc1ccccc1)N1CCOC2(C1)CN(C(=O)Nc1ccc(F)cc1F)CCO2
InChIInChI=1S/C22H24F2N4O4/c23-17-6-7-19(18(24)12-17)26-21(30)28-9-11-32-22(15-28)14-27(8-10-31-22)20(29)25-13-16-4-2-1-3-5-16/h1-7,12H,8-11,13-15H2,(H,25,29)(H,26,30)
InChIKeyBXZGMDKEEKJDRG-UHFFFAOYSA-N
XLogP2.77
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-fluorophenyl)-8-N-(4-fluorophenyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4,8-dicarboxamide
CID 172884801
N-(2,4-difluorophenyl)-8-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-4-carboxamide
CID 172884458
N-benzyl-2,2-dimethylmorpholine-4-carboxamide
CID 38286944
N-benzyl-4-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113106624
N-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3729330
N-(2,4-difluorophenyl)-4-(2-phenylethyl)piperazin-4-ium-1-carboxamide
CID 7189289
N-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide
CID 51307317
N-(2,4-difluorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 17425435
4-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 17456278
1-[(2,4-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63137889
4-[2-(3-chlorophenyl)ethyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113110971
N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 43288448

Frequently Asked Questions

What is the IUPAC name of 10-N-benzyl-4-N-(2,4-difluorophenyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4,10-dicarboxamide?
The IUPAC name of 10-N-benzyl-4-N-(2,4-difluorophenyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4,10-dicarboxamide (CID 171318547) is 10-N-benzyl-4-N-(2,4-difluorophenyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4,10-dicarboxamide.
What is the SMILES notation for 10-N-benzyl-4-N-(2,4-difluorophenyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4,10-dicarboxamide?
The canonical SMILES for 10-N-benzyl-4-N-(2,4-difluorophenyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4,10-dicarboxamide is O=C(NCc1ccccc1)N1CCOC2(C1)CN(C(=O)Nc1ccc(F)cc1F)CCO2.
What is the InChIKey of 10-N-benzyl-4-N-(2,4-difluorophenyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4,10-dicarboxamide?
The InChIKey is BXZGMDKEEKJDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O4/c23-17-6-7-19(18(24)12-17)26-21(30)28-9-11-32-22(15-28)14-27(8-10-31-22)20(29)25-13-16-4-2-1-3-5-16/h1-7,12H,8-11,13-15H2,(H,25,29)(H,26,30).
What are the key properties of 10-N-benzyl-4-N-(2,4-difluorophenyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4,10-dicarboxamide?
10-N-benzyl-4-N-(2,4-difluorophenyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4,10-dicarboxamide has a molecular weight of 446.45 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N-benzyl-4-N-(2,4-difluorophenyl)-1,7-dioxa-4,10-diazaspiro[5.5]undecane-4,10-dicarboxamide is sourced from PubChem (CID 171318547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).