4-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide

C15H22N2O2 — CID 114629766

IUPAC4-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
SMILESCC1(C)C(O)CC1NC(=O)c1ccc(CCN)cc1
InChIInChI=1S/C15H22N2O2/c1-15(2)12(9-13(15)18)17-14(19)11-5-3-10(4-6-11)7-8-16/h3-6,12-13,18H,7-9,16H2,1-2H3,(H,17,19)
InChIKeyCLMFTOUOAMIFEZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.08
Rot. Bonds4

About 4-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide

4-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide (PubChem CID 114629766) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
PubChem CID114629766
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
SMILESCC1(C)C(O)CC1NC(=O)c1ccc(CCN)cc1
InChIInChI=1S/C15H22N2O2/c1-15(2)12(9-13(15)18)17-14(19)11-5-3-10(4-6-11)7-8-16/h3-6,12-13,18H,7-9,16H2,1-2H3,(H,17,19)
InChIKeyCLMFTOUOAMIFEZ-UHFFFAOYSA-N
XLogP1.08
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(methylsulfanylmethyl)benzamide
CID 114630906
N-(3-hydroxy-2,2-dimethylcyclobutyl)-6-oxopyran-3-carboxamide
CID 114631311
3-bromo-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 104956529
3-chloro-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114631205
6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629337
N-cyclopropyl-4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide
CID 115972221
4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbenzamide
CID 114631389
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(methoxymethyl)benzamide
CID 114630677
5-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-benzofuran-2-carboxamide
CID 114628214
4-(2-aminoethyl)-N-(3-ethylcyclohexyl)benzamide
CID 64748627
4-(2-aminoethyl)-N-methoxybenzamide
CID 64974995
3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methoxybenzamide
CID 114629941

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide?
The IUPAC name of 4-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide (CID 114629766) is 4-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide is CC1(C)C(O)CC1NC(=O)c1ccc(CCN)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide?
The InChIKey is CLMFTOUOAMIFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2)12(9-13(15)18)17-14(19)11-5-3-10(4-6-11)7-8-16/h3-6,12-13,18H,7-9,16H2,1-2H3,(H,17,19).
What are the key properties of 4-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide?
4-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide has a molecular weight of 262.35 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide is sourced from PubChem (CID 114629766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).