3-amino-4-[[ethyl(2-ethylbutyl)amino]methyl]benzamide

C16H27N3O — CID 43587416

IUPAC3-amino-4-[[ethyl(2-ethylbutyl)amino]methyl]benzamide
SMILESCCC(CC)CN(CC)Cc1ccc(C(N)=O)cc1N
InChIInChI=1S/C16H27N3O/c1-4-12(5-2)10-19(6-3)11-14-8-7-13(16(18)20)9-15(14)17/h7-9,12H,4-6,10-11,17H2,1-3H3,(H2,18,20)
InChIKeyFPHGSXCZQFKJIF-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.63
Rot. Bonds8

About 3-amino-4-[[ethyl(2-ethylbutyl)amino]methyl]benzamide

3-amino-4-[[ethyl(2-ethylbutyl)amino]methyl]benzamide (PubChem CID 43587416) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-amino-4-[[ethyl(2-ethylbutyl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[[ethyl(2-ethylbutyl)amino]methyl]benzamide
PubChem CID43587416
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-amino-4-[[ethyl(2-ethylbutyl)amino]methyl]benzamide
SMILESCCC(CC)CN(CC)Cc1ccc(C(N)=O)cc1N
InChIInChI=1S/C16H27N3O/c1-4-12(5-2)10-19(6-3)11-14-8-7-13(16(18)20)9-15(14)17/h7-9,12H,4-6,10-11,17H2,1-3H3,(H2,18,20)
InChIKeyFPHGSXCZQFKJIF-UHFFFAOYSA-N
XLogP2.63
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(diethylaminomethyl)benzamide
CID 43375439
3-amino-4-ethylbenzamide
CID 19977641
3-amino-4-[[cyclobutylmethyl(ethyl)amino]methyl]benzamide
CID 107397403
3-amino-4-[[benzyl(ethyl)amino]methyl]benzoic acid
CID 82165856
4-[[ethyl(2-ethylbutyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482527
2-amino-6-[[ethyl(2-ethylbutyl)amino]methyl]benzoic acid
CID 104824377
3-amino-4-[[methyl(pentyl)amino]methyl]benzamide
CID 43376020
3-amino-4-(butan-2-ylsulfanylmethyl)benzamide
CID 43377238
3-amino-4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzamide
CID 43376086
3-amino-4-[[2-ethoxyethyl(methyl)amino]methyl]benzamide
CID 81052658
methyl 3-amino-4-[[benzyl(ethyl)amino]methyl]benzoate
CID 82165879
3-amino-4-[(dipropylamino)methyl]benzoic acid
CID 82165849

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[ethyl(2-ethylbutyl)amino]methyl]benzamide?
The IUPAC name of 3-amino-4-[[ethyl(2-ethylbutyl)amino]methyl]benzamide (CID 43587416) is 3-amino-4-[[ethyl(2-ethylbutyl)amino]methyl]benzamide.
What is the SMILES notation for 3-amino-4-[[ethyl(2-ethylbutyl)amino]methyl]benzamide?
The canonical SMILES for 3-amino-4-[[ethyl(2-ethylbutyl)amino]methyl]benzamide is CCC(CC)CN(CC)Cc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-[[ethyl(2-ethylbutyl)amino]methyl]benzamide?
The InChIKey is FPHGSXCZQFKJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-12(5-2)10-19(6-3)11-14-8-7-13(16(18)20)9-15(14)17/h7-9,12H,4-6,10-11,17H2,1-3H3,(H2,18,20).
What are the key properties of 3-amino-4-[[ethyl(2-ethylbutyl)amino]methyl]benzamide?
3-amino-4-[[ethyl(2-ethylbutyl)amino]methyl]benzamide has a molecular weight of 277.41 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[ethyl(2-ethylbutyl)amino]methyl]benzamide is sourced from PubChem (CID 43587416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).