N-[(4-aminooxan-4-yl)methyl]-2-(4-propylphenyl)benzamide

C22H28N2O2 — CID 173464076

IUPACN-[(4-aminooxan-4-yl)methyl]-2-(4-propylphenyl)benzamide
SMILESCCCc1ccc(-c2ccccc2C(=O)NCC2(N)CCOCC2)cc1
InChIInChI=1S/C22H28N2O2/c1-2-5-17-8-10-18(11-9-17)19-6-3-4-7-20(19)21(25)24-16-22(23)12-14-26-15-13-22/h3-4,6-11H,2,5,12-16,23H2,1H3,(H,24,25)
InChIKeyWMZAJLPBUFRHKG-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.54
Rot. Bonds6

About N-[(4-aminooxan-4-yl)methyl]-2-(4-propylphenyl)benzamide

N-[(4-aminooxan-4-yl)methyl]-2-(4-propylphenyl)benzamide (PubChem CID 173464076) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[(4-aminooxan-4-yl)methyl]-2-(4-propylphenyl)benzamide.

Molecular Properties

Compound NameN-[(4-aminooxan-4-yl)methyl]-2-(4-propylphenyl)benzamide
PubChem CID173464076
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[(4-aminooxan-4-yl)methyl]-2-(4-propylphenyl)benzamide
SMILESCCCc1ccc(-c2ccccc2C(=O)NCC2(N)CCOCC2)cc1
InChIInChI=1S/C22H28N2O2/c1-2-5-17-8-10-18(11-9-17)19-6-3-4-7-20(19)21(25)24-16-22(23)12-14-26-15-13-22/h3-4,6-11H,2,5,12-16,23H2,1H3,(H,24,25)
InChIKeyWMZAJLPBUFRHKG-UHFFFAOYSA-N
XLogP3.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminooxan-4-yl)methyl]-2-(4-propylphenyl)benzamide?
The IUPAC name of N-[(4-aminooxan-4-yl)methyl]-2-(4-propylphenyl)benzamide (CID 173464076) is N-[(4-aminooxan-4-yl)methyl]-2-(4-propylphenyl)benzamide.
What is the SMILES notation for N-[(4-aminooxan-4-yl)methyl]-2-(4-propylphenyl)benzamide?
The canonical SMILES for N-[(4-aminooxan-4-yl)methyl]-2-(4-propylphenyl)benzamide is CCCc1ccc(-c2ccccc2C(=O)NCC2(N)CCOCC2)cc1.
What is the InChIKey of N-[(4-aminooxan-4-yl)methyl]-2-(4-propylphenyl)benzamide?
The InChIKey is WMZAJLPBUFRHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-2-5-17-8-10-18(11-9-17)19-6-3-4-7-20(19)21(25)24-16-22(23)12-14-26-15-13-22/h3-4,6-11H,2,5,12-16,23H2,1H3,(H,24,25).
What are the key properties of N-[(4-aminooxan-4-yl)methyl]-2-(4-propylphenyl)benzamide?
N-[(4-aminooxan-4-yl)methyl]-2-(4-propylphenyl)benzamide has a molecular weight of 352.48 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminooxan-4-yl)methyl]-2-(4-propylphenyl)benzamide is sourced from PubChem (CID 173464076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).