4-[2-(aminomethyl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C23H31N3O2 — CID 67679197

IUPAC4-[2-(aminomethyl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Oc3ccccc3CN)cc2)CC(C)(C)N1
InChIInChI=1S/C23H31N3O2/c1-22(2)13-18(14-23(3,4)26-22)25-21(27)16-9-11-19(12-10-16)28-20-8-6-5-7-17(20)15-24/h5-12,18,26H,13-15,24H2,1-4H3,(H,25,27)
InChIKeyWEDDTPMBXKBMKL-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.98
Rot. Bonds5

About 4-[2-(aminomethyl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

4-[2-(aminomethyl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 67679197) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-[2-(aminomethyl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[2-(aminomethyl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID67679197
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name4-[2-(aminomethyl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(Oc3ccccc3CN)cc2)CC(C)(C)N1
InChIInChI=1S/C23H31N3O2/c1-22(2)13-18(14-23(3,4)26-22)25-21(27)16-9-11-19(12-10-16)28-20-8-6-5-7-17(20)15-24/h5-12,18,26H,13-15,24H2,1-4H3,(H,25,27)
InChIKeyWEDDTPMBXKBMKL-UHFFFAOYSA-N
XLogP3.98
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[2-(aminomethyl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 67679197) is 4-[2-(aminomethyl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[2-(aminomethyl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[2-(aminomethyl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CC1(C)CC(NC(=O)c2ccc(Oc3ccccc3CN)cc2)CC(C)(C)N1.
What is the InChIKey of 4-[2-(aminomethyl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is WEDDTPMBXKBMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-22(2)13-18(14-23(3,4)26-22)25-21(27)16-9-11-19(12-10-16)28-20-8-6-5-7-17(20)15-24/h5-12,18,26H,13-15,24H2,1-4H3,(H,25,27).
What are the key properties of 4-[2-(aminomethyl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
4-[2-(aminomethyl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 381.52 g/mol, XLogP of 3.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 67679197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).