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

C14H21N3O — CID 79851270

IUPAC2-(1-aminocyclobutyl)-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)CC2(N)CCC2)cc1
InChIInChI=1S/C14H21N3O/c1-17(2)12-6-4-11(5-7-12)16-13(18)10-14(15)8-3-9-14/h4-7H,3,8-10,15H2,1-2H3,(H,16,18)
InChIKeyGATWJQRHRNWKQX-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.96
Rot. Bonds4

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

2-(1-aminocyclobutyl)-N-[4-(dimethylamino)phenyl]acetamide (PubChem CID 79851270) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-[4-(dimethylamino)phenyl]acetamide
PubChem CID79851270
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(1-aminocyclobutyl)-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)CC2(N)CCC2)cc1
InChIInChI=1S/C14H21N3O/c1-17(2)12-6-4-11(5-7-12)16-13(18)10-14(15)8-3-9-14/h4-7H,3,8-10,15H2,1-2H3,(H,16,18)
InChIKeyGATWJQRHRNWKQX-UHFFFAOYSA-N
XLogP1.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminocyclopentyl)-N-[4-(diethylamino)phenyl]acetamide
CID 64685802
2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)phenyl]acetamide
CID 81179866
methyl N-[4-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]carbamate
CID 79854067
2-(1-aminocyclobutyl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide
CID 115377322
2-(1-aminocyclopentyl)-N-(4-tert-butylphenyl)acetamide
CID 64686111
2-(1-aminocyclobutyl)-N-[4-(methoxymethyl)phenyl]acetamide
CID 114253141
4-[[2-(1-aminocyclopentyl)acetyl]amino]benzoic acid
CID 64678175
2-(1-aminocyclohexyl)-N-(4-propan-2-ylphenyl)acetamide
CID 64684135
2-cyclopentyl-N-[4-(dimethylamino)phenyl]acetamide
CID 47097970
2-(1-aminocyclobutyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 79853909
propan-2-yl 4-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate
CID 79843320
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-[4-(dimethylamino)phenyl]acetamide (CID 79851270) is 2-(1-aminocyclobutyl)-N-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-[4-(dimethylamino)phenyl]acetamide is CN(C)c1ccc(NC(=O)CC2(N)CCC2)cc1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is GATWJQRHRNWKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-17(2)12-6-4-11(5-7-12)16-13(18)10-14(15)8-3-9-14/h4-7H,3,8-10,15H2,1-2H3,(H,16,18).
What are the key properties of 2-(1-aminocyclobutyl)-N-[4-(dimethylamino)phenyl]acetamide?
2-(1-aminocyclobutyl)-N-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 247.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-[4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 79851270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).