N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-ethylbenzamide

C17H26N2O — CID 79711984

IUPACN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC2C(C)(C)C(N)C2(C)C)cc1
InChIInChI=1S/C17H26N2O/c1-6-11-7-9-12(10-8-11)13(20)19-15-16(2,3)14(18)17(15,4)5/h7-10,14-15H,6,18H2,1-5H3,(H,19,20)
InChIKeyCBXVWPJLBOOVMI-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.74
Rot. Bonds3

About N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-ethylbenzamide

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-ethylbenzamide (PubChem CID 79711984) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-ethylbenzamide
PubChem CID79711984
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC2C(C)(C)C(N)C2(C)C)cc1
InChIInChI=1S/C17H26N2O/c1-6-11-7-9-12(10-8-11)13(20)19-15-16(2,3)14(18)17(15,4)5/h7-10,14-15H,6,18H2,1-5H3,(H,19,20)
InChIKeyCBXVWPJLBOOVMI-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chlorobenzamide
CID 79710945
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dihydroxybenzamide
CID 107728779
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chlorofuran-2-carboxamide
CID 79711588
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 79698757
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-hydroxy-4-methoxybenzamide
CID 79735299
4-(chloromethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79358822
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoro-4-methoxybenzamide
CID 79698755
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-bromopyridine-3-carboxamide
CID 79711416
ethane;4-ethyl-N-hydroxybenzamide
CID 142831550
N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 60918762
N-ethyl-4-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide
CID 119041396
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-fluoropyridine-3-carboxamide
CID 104786251

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-ethylbenzamide?
The IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-ethylbenzamide (CID 79711984) is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-ethylbenzamide.
What is the SMILES notation for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-ethylbenzamide?
The canonical SMILES for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-ethylbenzamide is CCc1ccc(C(=O)NC2C(C)(C)C(N)C2(C)C)cc1.
What is the InChIKey of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-ethylbenzamide?
The InChIKey is CBXVWPJLBOOVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-6-11-7-9-12(10-8-11)13(20)19-15-16(2,3)14(18)17(15,4)5/h7-10,14-15H,6,18H2,1-5H3,(H,19,20).
What are the key properties of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-ethylbenzamide?
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-ethylbenzamide has a molecular weight of 274.41 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-ethylbenzamide is sourced from PubChem (CID 79711984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).