2-(1-aminocyclobutyl)-N-(4-ethylphenyl)-N-methylacetamide

C15H22N2O — CID 79854733

IUPAC2-(1-aminocyclobutyl)-N-(4-ethylphenyl)-N-methylacetamide
SMILESCCc1ccc(N(C)C(=O)CC2(N)CCC2)cc1
InChIInChI=1S/C15H22N2O/c1-3-12-5-7-13(8-6-12)17(2)14(18)11-15(16)9-4-10-15/h5-8H,3-4,9-11,16H2,1-2H3
InChIKeyBJIHRHCFXYSMIH-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.48
Rot. Bonds4

About 2-(1-aminocyclobutyl)-N-(4-ethylphenyl)-N-methylacetamide

2-(1-aminocyclobutyl)-N-(4-ethylphenyl)-N-methylacetamide (PubChem CID 79854733) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-(4-ethylphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-(4-ethylphenyl)-N-methylacetamide
PubChem CID79854733
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(1-aminocyclobutyl)-N-(4-ethylphenyl)-N-methylacetamide
SMILESCCc1ccc(N(C)C(=O)CC2(N)CCC2)cc1
InChIInChI=1S/C15H22N2O/c1-3-12-5-7-13(8-6-12)17(2)14(18)11-15(16)9-4-10-15/h5-8H,3-4,9-11,16H2,1-2H3
InChIKeyBJIHRHCFXYSMIH-UHFFFAOYSA-N
XLogP2.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclopentyl)-N-methyl-N-pyridin-4-ylacetamide
CID 106935018
2-(1-aminocyclohexyl)-N-methyl-N-pyridin-4-ylacetamide
CID 106934997
2-(1-aminocyclobutyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 79853909
2-(1-aminocyclobutyl)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107734828
2-(1-aminocyclopentyl)-1-(4-ethylphenyl)ethanone
CID 116578853
N-(4-ethylphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 79260660
2-[1-[[(4-ethylphenyl)-methylcarbamoyl]amino]cyclobutyl]acetic acid
CID 79842490
3-amino-N-(4-ethylphenyl)-N-methyloxolane-3-carboxamide
CID 64891208
2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide
CID 79853828
2-(1-aminocyclopentyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 64683694
2-(1-aminocyclobutyl)-N-benzyl-N-ethylacetamide
CID 79851579
3-amino-1-(4-ethylphenyl)-1-methylurea
CID 62003089

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-(4-ethylphenyl)-N-methylacetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-(4-ethylphenyl)-N-methylacetamide (CID 79854733) is 2-(1-aminocyclobutyl)-N-(4-ethylphenyl)-N-methylacetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-(4-ethylphenyl)-N-methylacetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-(4-ethylphenyl)-N-methylacetamide is CCc1ccc(N(C)C(=O)CC2(N)CCC2)cc1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-(4-ethylphenyl)-N-methylacetamide?
The InChIKey is BJIHRHCFXYSMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-12-5-7-13(8-6-12)17(2)14(18)11-15(16)9-4-10-15/h5-8H,3-4,9-11,16H2,1-2H3.
What are the key properties of 2-(1-aminocyclobutyl)-N-(4-ethylphenyl)-N-methylacetamide?
2-(1-aminocyclobutyl)-N-(4-ethylphenyl)-N-methylacetamide has a molecular weight of 246.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-(4-ethylphenyl)-N-methylacetamide is sourced from PubChem (CID 79854733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).