4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzamide

C15H24N4O — CID 105413811

IUPAC4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)cc1NCC1(N(C)C)CCC1
InChIInChI=1S/C15H24N4O/c1-17-14(20)12-6-5-11(16)9-13(12)18-10-15(19(2)3)7-4-8-15/h5-6,9,18H,4,7-8,10,16H2,1-3H3,(H,17,20)
InChIKeyPAXGWWKPYOLJBY-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.52
Rot. Bonds5

About 4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzamide

4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzamide (PubChem CID 105413811) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzamide
PubChem CID105413811
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)cc1NCC1(N(C)C)CCC1
InChIInChI=1S/C15H24N4O/c1-17-14(20)12-6-5-11(16)9-13(12)18-10-15(19(2)3)7-4-8-15/h5-6,9,18H,4,7-8,10,16H2,1-3H3,(H,17,20)
InChIKeyPAXGWWKPYOLJBY-UHFFFAOYSA-N
XLogP1.52
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-ethylbenzamide
CID 105413915
5-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]benzamide
CID 105420168
4-amino-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-methylbenzamide
CID 65115543
4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-fluorobenzamide
CID 83107917
4-amino-2-[(1-hydroxycyclopentyl)methylamino]-N,N-dimethylbenzamide
CID 65102756
5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-nitrobenzamide
CID 105420369
4-chloro-2-[[1-(dimethylamino)cyclobutyl]methylamino]benzenecarbothioamide
CID 105418100
4-amino-N-ethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 115358011
4-amino-N-methyl-2-(thiolan-2-ylmethylamino)benzamide
CID 80585073
4-amino-2-[1-(dimethylamino)propan-2-ylamino]-N-methylbenzamide
CID 82946067
4-amino-2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-methylbenzamide
CID 106140800
5-amino-2-(ethylamino)-N-methylbenzamide
CID 100637917

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzamide?
The IUPAC name of 4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzamide (CID 105413811) is 4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzamide.
What is the SMILES notation for 4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzamide?
The canonical SMILES for 4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzamide is CNC(=O)c1ccc(N)cc1NCC1(N(C)C)CCC1.
What is the InChIKey of 4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzamide?
The InChIKey is PAXGWWKPYOLJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-17-14(20)12-6-5-11(16)9-13(12)18-10-15(19(2)3)7-4-8-15/h5-6,9,18H,4,7-8,10,16H2,1-3H3,(H,17,20).
What are the key properties of 4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzamide?
4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-methylbenzamide is sourced from PubChem (CID 105413811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).