N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-hydroxy-4-methylbenzamide

C16H24N2O2 — CID 79711256

IUPACN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2C(C)(C)C(N)C2(C)C)c(O)c1
InChIInChI=1S/C16H24N2O2/c1-9-6-7-10(11(19)8-9)12(20)18-14-15(2,3)13(17)16(14,4)5/h6-8,13-14,19H,17H2,1-5H3,(H,18,20)
InChIKeyONRPUNQMCQFEAH-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.19
Rot. Bonds2

About N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-hydroxy-4-methylbenzamide

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-hydroxy-4-methylbenzamide (PubChem CID 79711256) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-hydroxy-4-methylbenzamide
PubChem CID79711256
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2C(C)(C)C(N)C2(C)C)c(O)c1
InChIInChI=1S/C16H24N2O2/c1-9-6-7-10(11(19)8-9)12(20)18-14-15(2,3)13(17)16(14,4)5/h6-8,13-14,19H,17H2,1-5H3,(H,18,20)
InChIKeyONRPUNQMCQFEAH-UHFFFAOYSA-N
XLogP2.19
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-hydroxy-4-methylbenzamide (CID 79711256) is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NC2C(C)(C)C(N)C2(C)C)c(O)c1.
What is the InChIKey of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-hydroxy-4-methylbenzamide?
The InChIKey is ONRPUNQMCQFEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-9-6-7-10(11(19)8-9)12(20)18-14-15(2,3)13(17)16(14,4)5/h6-8,13-14,19H,17H2,1-5H3,(H,18,20).
What are the key properties of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-hydroxy-4-methylbenzamide?
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-hydroxy-4-methylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 79711256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).