N-(2-aminophenyl)-4-[[8-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide;methane

C25H35N3O2 — CID 158787902

IUPACN-(2-aminophenyl)-4-[[8-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide;methane
SMILESC.CC(C)CN1C2CCC1CC(Oc1ccc(C(=O)Nc3ccccc3N)cc1)C2
InChIInChI=1S/C24H31N3O2.CH4/c1-16(2)15-27-18-9-10-19(27)14-21(13-18)29-20-11-7-17(8-12-20)24(28)26-23-6-4-3-5-22(23)25;/h3-8,11-12,16,18-19,21H,9-10,13-15,25H2,1-2H3,(H,26,28);1H4
InChIKeyIRXKHTNNRCGDSG-UHFFFAOYSA-N
MW409.57 g/mol
LogP5.19
Rot. Bonds6

About N-(2-aminophenyl)-4-[[8-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide;methane

N-(2-aminophenyl)-4-[[8-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide;methane (PubChem CID 158787902) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[8-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide;methane.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[8-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide;methane
PubChem CID158787902
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC NameN-(2-aminophenyl)-4-[[8-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide;methane
SMILESC.CC(C)CN1C2CCC1CC(Oc1ccc(C(=O)Nc3ccccc3N)cc1)C2
InChIInChI=1S/C24H31N3O2.CH4/c1-16(2)15-27-18-9-10-19(27)14-21(13-18)29-20-11-7-17(8-12-20)24(28)26-23-6-4-3-5-22(23)25;/h3-8,11-12,16,18-19,21H,9-10,13-15,25H2,1-2H3,(H,26,28);1H4
InChIKeyIRXKHTNNRCGDSG-UHFFFAOYSA-N
XLogP5.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.57
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-[1-(2-methylpropyl)piperidin-4-yl]oxybenzamide;methane
CID 160587911
N-(2-aminophenyl)-4-[[8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide;dihydrochloride
CID 138673093
N-(2-aminophenyl)-4-[1-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]piperidin-4-yl]oxybenzamide
CID 145225760
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411
4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide
CID 10380630
N-(2-aminophenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 119421973
N-(2-aminophenyl)-4-naphthalen-2-yloxybenzamide
CID 10760610
N-(2-aminophenyl)-4-[[(3S)-pyrrolidin-3-yl]amino]benzamide;methane
CID 160904181
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
N-(2-aminophenyl)-4-[[1-(cyclopropylmethyl)azepan-4-yl]amino]benzamide;methane
CID 157178118

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[8-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide;methane?
The IUPAC name of N-(2-aminophenyl)-4-[[8-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide;methane (CID 158787902) is N-(2-aminophenyl)-4-[[8-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide;methane.
What is the SMILES notation for N-(2-aminophenyl)-4-[[8-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide;methane?
The canonical SMILES for N-(2-aminophenyl)-4-[[8-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide;methane is C.CC(C)CN1C2CCC1CC(Oc1ccc(C(=O)Nc3ccccc3N)cc1)C2.
What is the InChIKey of N-(2-aminophenyl)-4-[[8-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide;methane?
The InChIKey is IRXKHTNNRCGDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2.CH4/c1-16(2)15-27-18-9-10-19(27)14-21(13-18)29-20-11-7-17(8-12-20)24(28)26-23-6-4-3-5-22(23)25;/h3-8,11-12,16,18-19,21H,9-10,13-15,25H2,1-2H3,(H,26,28);1H4.
What are the key properties of N-(2-aminophenyl)-4-[[8-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide;methane?
N-(2-aminophenyl)-4-[[8-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide;methane has a molecular weight of 409.57 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[8-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide;methane is sourced from PubChem (CID 158787902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).