3-(2-aminophenyl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]propanamide

C24H33N3O — CID 120612656

IUPAC3-(2-aminophenyl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]propanamide
SMILESCN(Cc1ccccc1CNC(=O)CCc1ccccc1N)C1CCCCC1
InChIInChI=1S/C24H33N3O/c1-27(22-12-3-2-4-13-22)18-21-11-6-5-10-20(21)17-26-24(28)16-15-19-9-7-8-14-23(19)25/h5-11,14,22H,2-4,12-13,15-18,25H2,1H3,(H,26,28)
InChIKeyVVPVTHYFBOLOJD-UHFFFAOYSA-N
MW379.55 g/mol
LogP4.28
Rot. Bonds8

About 3-(2-aminophenyl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]propanamide

3-(2-aminophenyl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]propanamide (PubChem CID 120612656) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]propanamide
PubChem CID120612656
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name3-(2-aminophenyl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]propanamide
SMILESCN(Cc1ccccc1CNC(=O)CCc1ccccc1N)C1CCCCC1
InChIInChI=1S/C24H33N3O/c1-27(22-12-3-2-4-13-22)18-21-11-6-5-10-20(21)17-26-24(28)16-15-19-9-7-8-14-23(19)25/h5-11,14,22H,2-4,12-13,15-18,25H2,1H3,(H,26,28)
InChIKeyVVPVTHYFBOLOJD-UHFFFAOYSA-N
XLogP4.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[cyclopentyl(methyl)amino]methyl]aniline
CID 43266778
3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride
CID 120608410
N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 60551623
3-(2-aminophenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 120612330
3-amino-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119861630
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119861643
methyl 2-amino-6-[[cycloheptyl(methyl)amino]methyl]benzoate
CID 104824398
3-(2-aminophenyl)-N-[[2-(methylsulfonylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 120611481
3-(2-aminophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 120609935
N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 119861656
3-(2-aminophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 107273176
methyl 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoate
CID 104824299

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]propanamide (CID 120612656) is 3-(2-aminophenyl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]propanamide is CN(Cc1ccccc1CNC(=O)CCc1ccccc1N)C1CCCCC1.
What is the InChIKey of 3-(2-aminophenyl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]propanamide?
The InChIKey is VVPVTHYFBOLOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-27(22-12-3-2-4-13-22)18-21-11-6-5-10-20(21)17-26-24(28)16-15-19-9-7-8-14-23(19)25/h5-11,14,22H,2-4,12-13,15-18,25H2,1H3,(H,26,28).
What are the key properties of 3-(2-aminophenyl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]propanamide?
3-(2-aminophenyl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]propanamide has a molecular weight of 379.55 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 120612656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).