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

C16H26N4O — CID 105413915

IUPAC4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)cc1NCC1(N(C)C)CCC1
InChIInChI=1S/C16H26N4O/c1-4-18-15(21)13-7-6-12(17)10-14(13)19-11-16(20(2)3)8-5-9-16/h6-7,10,19H,4-5,8-9,11,17H2,1-3H3,(H,18,21)
InChIKeyJZFOMOMYGVBUBP-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.91
Rot. Bonds6

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

4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-ethylbenzamide (PubChem CID 105413915) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-ethylbenzamide.

Molecular Properties

Compound Name4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-ethylbenzamide
PubChem CID105413915
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)cc1NCC1(N(C)C)CCC1
InChIInChI=1S/C16H26N4O/c1-4-18-15(21)13-7-6-12(17)10-14(13)19-11-16(20(2)3)8-5-9-16/h6-7,10,19H,4-5,8-9,11,17H2,1-3H3,(H,18,21)
InChIKeyJZFOMOMYGVBUBP-UHFFFAOYSA-N
XLogP1.91
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.91
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-methylbenzamide
CID 105413811
4-amino-N-ethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 115358011
5-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]benzamide
CID 105420168
4-amino-N-ethyl-2-[(4-hydroxyoxan-4-yl)methylamino]benzamide
CID 81133747
4-amino-N-ethyl-2-[(3-hydroxyoxolan-3-yl)methylamino]benzamide
CID 106099441
4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-fluorobenzamide
CID 83107917
5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-nitrobenzamide
CID 105420369
4-amino-2-[(1-hydroxycyclopentyl)methylamino]-N,N-dimethylbenzamide
CID 65102756
4-amino-N-ethyl-2-(2,3,3-trimethylbutylamino)benzamide
CID 83141974
4-amino-N-ethyl-2-[(2-methoxy-2-methylpropyl)amino]benzamide
CID 104758824
4-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide
CID 106166574
4-amino-N-ethyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]benzamide
CID 106140637

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-ethylbenzamide?
The IUPAC name of 4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-ethylbenzamide (CID 105413915) is 4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-ethylbenzamide.
What is the SMILES notation for 4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-ethylbenzamide?
The canonical SMILES for 4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-ethylbenzamide is CCNC(=O)c1ccc(N)cc1NCC1(N(C)C)CCC1.
What is the InChIKey of 4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-ethylbenzamide?
The InChIKey is JZFOMOMYGVBUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-18-15(21)13-7-6-12(17)10-14(13)19-11-16(20(2)3)8-5-9-16/h6-7,10,19H,4-5,8-9,11,17H2,1-3H3,(H,18,21).
What are the key properties of 4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-ethylbenzamide?
4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-ethylbenzamide has a molecular weight of 290.41 g/mol, XLogP of 1.91, 6 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-ethylbenzamide is sourced from PubChem (CID 105413915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).