2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide

C15H19N3O — CID 79853828

IUPAC2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)CC1(N)CCC1
InChIInChI=1S/C15H19N3O/c1-18(14(19)9-15(17)7-2-8-15)11-13-5-3-12(10-16)4-6-13/h3-6H,2,7-9,11,17H2,1H3
InChIKeyOXYAXXMTWZXBBB-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.79
Rot. Bonds4

About 2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide

2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide (PubChem CID 79853828) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide
PubChem CID79853828
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)CC1(N)CCC1
InChIInChI=1S/C15H19N3O/c1-18(14(19)9-15(17)7-2-8-15)11-13-5-3-12(10-16)4-6-13/h3-6H,2,7-9,11,17H2,1H3
InChIKeyOXYAXXMTWZXBBB-UHFFFAOYSA-N
XLogP1.79
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclobutyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 79853909
2-(1-aminocyclopentyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 64683694
2-(1-aminocyclopentyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 64684478
2-(1-aminocyclopentyl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 64684189
2-(1-aminocyclobutyl)-N-methyl-N-(naphthalen-2-ylmethyl)acetamide
CID 79843799
2-(1-aminocyclobutyl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 79854781
2-(1-aminocyclopentyl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 64685068
2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 79854071
N-[(4-cyanophenyl)methyl]-N-methyl-3-oxobutanamide
CID 54876621
N-[(4-cyanophenyl)methyl]-N-methylbutanamide
CID 60737799
N-[(4-cyanophenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655879
2-(1-aminocyclohexyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 64684065

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide (CID 79853828) is 2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide is CN(Cc1ccc(C#N)cc1)C(=O)CC1(N)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide?
The InChIKey is OXYAXXMTWZXBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18(14(19)9-15(17)7-2-8-15)11-13-5-3-12(10-16)4-6-13/h3-6H,2,7-9,11,17H2,1H3.
What are the key properties of 2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide?
2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide has a molecular weight of 257.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-[(4-cyanophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 79853828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).