N-benzyl-9-[(3-fluorophenyl)methyl]-N,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-2-carboxamide

C25H32FN3O2 — CID 131669480

IUPACN-benzyl-9-[(3-fluorophenyl)methyl]-N,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-2-carboxamide
SMILESCN1CC(C(=O)N(C)Cc2ccccc2)OC2(CCN(Cc3cccc(F)c3)CC2)C1
InChIInChI=1S/C25H32FN3O2/c1-27-18-23(24(30)28(2)16-20-7-4-3-5-8-20)31-25(19-27)11-13-29(14-12-25)17-21-9-6-10-22(26)15-21/h3-10,15,23H,11-14,16-19H2,1-2H3
InChIKeyKAJKLXPCRUCPFF-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.15
Rot. Bonds5

About N-benzyl-9-[(3-fluorophenyl)methyl]-N,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-2-carboxamide

N-benzyl-9-[(3-fluorophenyl)methyl]-N,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-2-carboxamide (PubChem CID 131669480) has the molecular formula C25H32FN3O2 and a molecular weight of 425.55 g/mol. Its IUPAC name is N-benzyl-9-[(3-fluorophenyl)methyl]-N,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-9-[(3-fluorophenyl)methyl]-N,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-2-carboxamide
PubChem CID131669480
Molecular FormulaC25H32FN3O2
Molecular Weight425.55 g/mol
Exact Mass425.25
IUPAC NameN-benzyl-9-[(3-fluorophenyl)methyl]-N,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-2-carboxamide
SMILESCN1CC(C(=O)N(C)Cc2ccccc2)OC2(CCN(Cc3cccc(F)c3)CC2)C1
InChIInChI=1S/C25H32FN3O2/c1-27-18-23(24(30)28(2)16-20-7-4-3-5-8-20)31-25(19-27)11-13-29(14-12-25)17-21-9-6-10-22(26)15-21/h3-10,15,23H,11-14,16-19H2,1-2H3
InChIKeyKAJKLXPCRUCPFF-UHFFFAOYSA-N
XLogP3.15
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-9-[(3-fluorophenyl)methyl]-N,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-9-(cyclopropanecarbonyl)-N,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155860836
N-benzyl-9-(furan-2-carbonyl)-N,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155860921
2-benzyl-9-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decane-7-carboxamide
CID 131668676
N-[(3-fluorophenyl)methyl]-N-methyl-9H-xanthene-9-carboxamide
CID 9094452
N-[[(5R,7R)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methylpropanamide
CID 97485203
N-benzyl-N,2-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 87054496
(3R)-N-[(3-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9094456
2-[[(3R,5R)-7-[(3-fluorophenyl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]-N,N-dimethylacetamide
CID 97394293
(3S)-1-benzyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 34904790
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
4-benzyl-10-[(3-fluorophenyl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986291
N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335916

Frequently Asked Questions

What is the IUPAC name of N-benzyl-9-[(3-fluorophenyl)methyl]-N,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-2-carboxamide?
The IUPAC name of N-benzyl-9-[(3-fluorophenyl)methyl]-N,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-2-carboxamide (CID 131669480) is N-benzyl-9-[(3-fluorophenyl)methyl]-N,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-2-carboxamide.
What is the SMILES notation for N-benzyl-9-[(3-fluorophenyl)methyl]-N,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-2-carboxamide?
The canonical SMILES for N-benzyl-9-[(3-fluorophenyl)methyl]-N,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-2-carboxamide is CN1CC(C(=O)N(C)Cc2ccccc2)OC2(CCN(Cc3cccc(F)c3)CC2)C1.
What is the InChIKey of N-benzyl-9-[(3-fluorophenyl)methyl]-N,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-2-carboxamide?
The InChIKey is KAJKLXPCRUCPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O2/c1-27-18-23(24(30)28(2)16-20-7-4-3-5-8-20)31-25(19-27)11-13-29(14-12-25)17-21-9-6-10-22(26)15-21/h3-10,15,23H,11-14,16-19H2,1-2H3.
What are the key properties of N-benzyl-9-[(3-fluorophenyl)methyl]-N,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-2-carboxamide?
N-benzyl-9-[(3-fluorophenyl)methyl]-N,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-2-carboxamide has a molecular weight of 425.55 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-9-[(3-fluorophenyl)methyl]-N,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecane-2-carboxamide is sourced from PubChem (CID 131669480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).