N-[(1-aminocyclobutyl)methyl]-2-tert-butylbenzamide

C16H24N2O — CID 103352560

IUPACN-[(1-aminocyclobutyl)methyl]-2-tert-butylbenzamide
SMILESCC(C)(C)c1ccccc1C(=O)NCC1(N)CCC1
InChIInChI=1S/C16H24N2O/c1-15(2,3)13-8-5-4-7-12(13)14(19)18-11-16(17)9-6-10-16/h4-5,7-8H,6,9-11,17H2,1-3H3,(H,18,19)
InChIKeySOHDONGEKJJXLL-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.60
Rot. Bonds3

About N-[(1-aminocyclobutyl)methyl]-2-tert-butylbenzamide

N-[(1-aminocyclobutyl)methyl]-2-tert-butylbenzamide (PubChem CID 103352560) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(1-aminocyclobutyl)methyl]-2-tert-butylbenzamide.

Molecular Properties

Compound NameN-[(1-aminocyclobutyl)methyl]-2-tert-butylbenzamide
PubChem CID103352560
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[(1-aminocyclobutyl)methyl]-2-tert-butylbenzamide
SMILESCC(C)(C)c1ccccc1C(=O)NCC1(N)CCC1
InChIInChI=1S/C16H24N2O/c1-15(2,3)13-8-5-4-7-12(13)14(19)18-11-16(17)9-6-10-16/h4-5,7-8H,6,9-11,17H2,1-3H3,(H,18,19)
InChIKeySOHDONGEKJJXLL-UHFFFAOYSA-N
XLogP2.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclopentyl]methyl]-2-tert-butylbenzamide
CID 115365396
2-tert-butyl-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031297
N-(6-aminohexyl)-2-tert-butylbenzamide
CID 107843835
N-(4-bromobutyl)-2-tert-butylbenzamide
CID 106846012
N-[(1-aminocyclobutyl)methyl]-2-chloro-5-methylsulfanylbenzamide
CID 113412029
N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-(trifluoromethyl)benzamide
CID 75456837
2-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103820494
2-amino-N-[(1-methylcyclobutyl)methyl]benzamide;hydrochloride
CID 119945728
N-(5-bromopentyl)-2-tert-butylbenzamide
CID 107321897
(2S)-4-[(2-tert-butylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107834398
N-[(1-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide;hydrochloride
CID 119404346
2-amino-N-[(1-ethylcyclobutyl)methyl]benzamide
CID 103822063

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclobutyl)methyl]-2-tert-butylbenzamide?
The IUPAC name of N-[(1-aminocyclobutyl)methyl]-2-tert-butylbenzamide (CID 103352560) is N-[(1-aminocyclobutyl)methyl]-2-tert-butylbenzamide.
What is the SMILES notation for N-[(1-aminocyclobutyl)methyl]-2-tert-butylbenzamide?
The canonical SMILES for N-[(1-aminocyclobutyl)methyl]-2-tert-butylbenzamide is CC(C)(C)c1ccccc1C(=O)NCC1(N)CCC1.
What is the InChIKey of N-[(1-aminocyclobutyl)methyl]-2-tert-butylbenzamide?
The InChIKey is SOHDONGEKJJXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-15(2,3)13-8-5-4-7-12(13)14(19)18-11-16(17)9-6-10-16/h4-5,7-8H,6,9-11,17H2,1-3H3,(H,18,19).
What are the key properties of N-[(1-aminocyclobutyl)methyl]-2-tert-butylbenzamide?
N-[(1-aminocyclobutyl)methyl]-2-tert-butylbenzamide has a molecular weight of 260.38 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclobutyl)methyl]-2-tert-butylbenzamide is sourced from PubChem (CID 103352560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).