4-(aminomethyl)-N-[2-(4-tert-butylphenoxy)ethyl]benzamide

C20H26N2O2 — CID 119271557

IUPAC4-(aminomethyl)-N-[2-(4-tert-butylphenoxy)ethyl]benzamide
SMILESCC(C)(C)c1ccc(OCCNC(=O)c2ccc(CN)cc2)cc1
InChIInChI=1S/C20H26N2O2/c1-20(2,3)17-8-10-18(11-9-17)24-13-12-22-19(23)16-6-4-15(14-21)5-7-16/h4-11H,12-14,21H2,1-3H3,(H,22,23)
InChIKeyVKUHCMJFSJUTOU-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.25
Rot. Bonds6

About 4-(aminomethyl)-N-[2-(4-tert-butylphenoxy)ethyl]benzamide

4-(aminomethyl)-N-[2-(4-tert-butylphenoxy)ethyl]benzamide (PubChem CID 119271557) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[2-(4-tert-butylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[2-(4-tert-butylphenoxy)ethyl]benzamide
PubChem CID119271557
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name4-(aminomethyl)-N-[2-(4-tert-butylphenoxy)ethyl]benzamide
SMILESCC(C)(C)c1ccc(OCCNC(=O)c2ccc(CN)cc2)cc1
InChIInChI=1S/C20H26N2O2/c1-20(2,3)17-8-10-18(11-9-17)24-13-12-22-19(23)16-6-4-15(14-21)5-7-16/h4-11H,12-14,21H2,1-3H3,(H,22,23)
InChIKeyVKUHCMJFSJUTOU-UHFFFAOYSA-N
XLogP3.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]benzamide;hydrochloride
CID 119345843
4-tert-butyl-N-[2-(3,4-dimethylphenoxy)ethyl]benzamide
CID 2225637
4-(aminomethyl)-N-[2-(4-butoxyphenyl)ethyl]benzamide;hydrochloride
CID 119284651
N-[2-(4-tert-butylphenoxy)ethyl]furan-3-carboxamide
CID 24532323
4-amino-N-[2-(4-tert-butylphenoxy)ethyl]-3-nitrobenzamide
CID 27861722
N-[2-[4-(aminomethyl)phenoxy]ethyl]-2,2,2-trifluoroacetamide;hydrochloride
CID 156792793
2-(pyridine-4-carbonylamino)ethyl 2-(4-tert-butylphenoxy)acetate
CID 3405696
N-[2-(4-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 8960957
4-[(4-tert-butylphenoxy)methyl]-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 32974694
methyl 3-[[4-[(4-tert-butylphenoxy)methyl]benzoyl]amino]propanoate
CID 40655214
4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136995
N-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide
CID 60918064

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[2-(4-tert-butylphenoxy)ethyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[2-(4-tert-butylphenoxy)ethyl]benzamide (CID 119271557) is 4-(aminomethyl)-N-[2-(4-tert-butylphenoxy)ethyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[2-(4-tert-butylphenoxy)ethyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[2-(4-tert-butylphenoxy)ethyl]benzamide is CC(C)(C)c1ccc(OCCNC(=O)c2ccc(CN)cc2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[2-(4-tert-butylphenoxy)ethyl]benzamide?
The InChIKey is VKUHCMJFSJUTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-20(2,3)17-8-10-18(11-9-17)24-13-12-22-19(23)16-6-4-15(14-21)5-7-16/h4-11H,12-14,21H2,1-3H3,(H,22,23).
What are the key properties of 4-(aminomethyl)-N-[2-(4-tert-butylphenoxy)ethyl]benzamide?
4-(aminomethyl)-N-[2-(4-tert-butylphenoxy)ethyl]benzamide has a molecular weight of 326.44 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[2-(4-tert-butylphenoxy)ethyl]benzamide is sourced from PubChem (CID 119271557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).