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

C15H23N3O — CID 81179866

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)CC2(CN)CCC2)cc1
InChIInChI=1S/C15H23N3O/c1-18(2)13-6-4-12(5-7-13)17-14(19)10-15(11-16)8-3-9-15/h4-7H,3,8-11,16H2,1-2H3,(H,17,19)
InChIKeyRXWUUUNHTFMVAP-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.21
Rot. Bonds5

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

2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)phenyl]acetamide (PubChem CID 81179866) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)phenyl]acetamide
PubChem CID81179866
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)CC2(CN)CCC2)cc1
InChIInChI=1S/C15H23N3O/c1-18(2)13-6-4-12(5-7-13)17-14(19)10-15(11-16)8-3-9-15/h4-7H,3,8-11,16H2,1-2H3,(H,17,19)
InChIKeyRXWUUUNHTFMVAP-UHFFFAOYSA-N
XLogP2.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.21
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-aminocyclobutyl)-N-[4-(dimethylamino)phenyl]acetamide
CID 79851270
2-[1-(aminomethyl)cyclobutyl]-N-(4-ethylsulfonylphenyl)acetamide
CID 81171823
3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]-N,N-dimethylbenzamide
CID 81171958
2-[1-(aminomethyl)cyclobutyl]-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 81173080
2-[1-(aminomethyl)cyclobutyl]-N-[6-(diethylamino)-3-pyridinyl]acetamide
CID 81171833
2-[1-(aminomethyl)cyclobutyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 81167866
2-cyclopentyl-N-[4-(dimethylamino)phenyl]acetamide
CID 47097970
2-[1-(aminomethyl)cyclohexyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 104677454
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylsulfanylphenyl)acetamide
CID 81167247
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
2-[1-(aminomethyl)cyclobutyl]-N-(2-methylsulfanylphenyl)acetamide
CID 81179881
2-[1-(aminomethyl)cyclobutyl]-N-pyrimidin-2-ylacetamide
CID 81179251

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)phenyl]acetamide (CID 81179866) is 2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)phenyl]acetamide is CN(C)c1ccc(NC(=O)CC2(CN)CCC2)cc1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is RXWUUUNHTFMVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(2)13-6-4-12(5-7-13)17-14(19)10-15(11-16)8-3-9-15/h4-7H,3,8-11,16H2,1-2H3,(H,17,19).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)phenyl]acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 261.37 g/mol, XLogP of 2.21, 5 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-[4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 81179866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).