2-[1-(aminomethyl)cyclobutyl]-N-(2-propan-2-yloxyphenyl)acetamide

C16H24N2O2 — CID 81179451

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1NC(=O)CC1(CN)CCC1
InChIInChI=1S/C16H24N2O2/c1-12(2)20-14-7-4-3-6-13(14)18-15(19)10-16(11-17)8-5-9-16/h3-4,6-7,12H,5,8-11,17H2,1-2H3,(H,18,19)
InChIKeyZMBTUFFYUMVHIB-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.93
Rot. Bonds6

About 2-[1-(aminomethyl)cyclobutyl]-N-(2-propan-2-yloxyphenyl)acetamide

2-[1-(aminomethyl)cyclobutyl]-N-(2-propan-2-yloxyphenyl)acetamide (PubChem CID 81179451) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(2-propan-2-yloxyphenyl)acetamide
PubChem CID81179451
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1NC(=O)CC1(CN)CCC1
InChIInChI=1S/C16H24N2O2/c1-12(2)20-14-7-4-3-6-13(14)18-15(19)10-16(11-17)8-5-9-16/h3-4,6-7,12H,5,8-11,17H2,1-2H3,(H,18,19)
InChIKeyZMBTUFFYUMVHIB-UHFFFAOYSA-N
XLogP2.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-(2-propoxyphenyl)acetamide
CID 81179040
2-[1-(aminomethyl)cyclobutyl]-N-[2-(1-hydroxyethyl)phenyl]acetamide
CID 81168561
2-[1-(aminomethyl)cyclobutyl]-N-(2-methylsulfanylphenyl)acetamide
CID 81179881
2-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)acetamide
CID 112687005
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
2-[1-(aminomethyl)cyclobutyl]-N-(2-ethoxy-4-methylphenyl)acetamide
CID 81173162
3-oxo-N-(2-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108942056
7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride
CID 119714847
2-(1-aminocyclobutyl)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 79854866
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
N-(4-fluorophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108954811
2-(butan-2-ylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54829029

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(2-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(2-propan-2-yloxyphenyl)acetamide (CID 81179451) is 2-[1-(aminomethyl)cyclobutyl]-N-(2-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(2-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(2-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccccc1NC(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(2-propan-2-yloxyphenyl)acetamide?
The InChIKey is ZMBTUFFYUMVHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)20-14-7-4-3-6-13(14)18-15(19)10-16(11-17)8-5-9-16/h3-4,6-7,12H,5,8-11,17H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(2-propan-2-yloxyphenyl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(2-propan-2-yloxyphenyl)acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-(2-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 81179451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).