3-amino-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclobutane-1-carboxamide

C16H24N2O — CID 115161513

IUPAC3-amino-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclobutane-1-carboxamide
SMILESCc1cc(C)c(C)c(CNC(=O)C2CC(N)C2)c1C
InChIInChI=1S/C16H24N2O/c1-9-5-10(2)12(4)15(11(9)3)8-18-16(19)13-6-14(17)7-13/h5,13-14H,6-8,17H2,1-4H3,(H,18,19)
InChIKeyYSCKDDKPAUWAFY-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.27
Rot. Bonds3

About 3-amino-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclobutane-1-carboxamide

3-amino-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclobutane-1-carboxamide (PubChem CID 115161513) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-amino-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclobutane-1-carboxamide
PubChem CID115161513
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-amino-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclobutane-1-carboxamide
SMILESCc1cc(C)c(C)c(CNC(=O)C2CC(N)C2)c1C
InChIInChI=1S/C16H24N2O/c1-9-5-10(2)12(4)15(11(9)3)8-18-16(19)13-6-14(17)7-13/h5,13-14H,6-8,17H2,1-4H3,(H,18,19)
InChIKeyYSCKDDKPAUWAFY-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-oxo-2-[(2,3,5,6-tetramethylphenyl)methylamino]acetate
CID 115141970
3-amino-N-(2,4,5-trimethylphenyl)cyclobutane-1-carboxamide
CID 115161310
N-[(2,3,5,6-tetramethylphenyl)methyl]carbamoyl bromide
CID 115193571
3-amino-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 115161488
9-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984051
3-amino-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide
CID 115161523
3-amino-N-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxamide
CID 115161514
3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide
CID 156609240
N-[(2,4,6-trimethylphenyl)methyl]azetidine-3-carboxamide
CID 115158841
3-amino-2-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide
CID 115153649
3-amino-N-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 119698450
3-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclobutane-1-carboxamide
CID 115161764

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 3-amino-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclobutane-1-carboxamide (CID 115161513) is 3-amino-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclobutane-1-carboxamide is Cc1cc(C)c(C)c(CNC(=O)C2CC(N)C2)c1C.
What is the InChIKey of 3-amino-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is YSCKDDKPAUWAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-9-5-10(2)12(4)15(11(9)3)8-18-16(19)13-6-14(17)7-13/h5,13-14H,6-8,17H2,1-4H3,(H,18,19).
What are the key properties of 3-amino-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclobutane-1-carboxamide?
3-amino-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,3,5,6-tetramethylphenyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115161513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).