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

C16H25N3O — CID 79853909

IUPAC2-(1-aminocyclobutyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)CC1(N)CCC1
InChIInChI=1S/C16H25N3O/c1-18(2)14-7-5-13(6-8-14)12-19(3)15(20)11-16(17)9-4-10-16/h5-8H,4,9-12,17H2,1-3H3
InChIKeyDTVILTZVXRDNAQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.98
Rot. Bonds5

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

2-(1-aminocyclobutyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide (PubChem CID 79853909) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
PubChem CID79853909
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(1-aminocyclobutyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)CC1(N)CCC1
InChIInChI=1S/C16H25N3O/c1-18(2)14-7-5-13(6-8-14)12-19(3)15(20)11-16(17)9-4-10-16/h5-8H,4,9-12,17H2,1-3H3
InChIKeyDTVILTZVXRDNAQ-UHFFFAOYSA-N
XLogP1.98
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide (CID 79853909) is 2-(1-aminocyclobutyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide is CN(Cc1ccc(N(C)C)cc1)C(=O)CC1(N)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide?
The InChIKey is DTVILTZVXRDNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-18(2)14-7-5-13(6-8-14)12-19(3)15(20)11-16(17)9-4-10-16/h5-8H,4,9-12,17H2,1-3H3.
What are the key properties of 2-(1-aminocyclobutyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide?
2-(1-aminocyclobutyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide has a molecular weight of 275.40 g/mol, XLogP of 1.98, 5 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-(dimethylamino)phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 79853909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).