2-[(2-amino-4-ethoxycyclobutyl)amino]benzamide

C13H19N3O2 — CID 66197262

IUPAC2-[(2-amino-4-ethoxycyclobutyl)amino]benzamide
SMILESCCOC1CC(N)C1Nc1ccccc1C(N)=O
InChIInChI=1S/C13H19N3O2/c1-2-18-11-7-9(14)12(11)16-10-6-4-3-5-8(10)13(15)17/h3-6,9,11-12,16H,2,7,14H2,1H3,(H2,15,17)
InChIKeyZCDOTOOXQAFDLE-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.70
Rot. Bonds5

About 2-[(2-amino-4-ethoxycyclobutyl)amino]benzamide

2-[(2-amino-4-ethoxycyclobutyl)amino]benzamide (PubChem CID 66197262) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[(2-amino-4-ethoxycyclobutyl)amino]benzamide.

Molecular Properties

Compound Name2-[(2-amino-4-ethoxycyclobutyl)amino]benzamide
PubChem CID66197262
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[(2-amino-4-ethoxycyclobutyl)amino]benzamide
SMILESCCOC1CC(N)C1Nc1ccccc1C(N)=O
InChIInChI=1S/C13H19N3O2/c1-2-18-11-7-9(14)12(11)16-10-6-4-3-5-8(10)13(15)17/h3-6,9,11-12,16H,2,7,14H2,1H3,(H2,15,17)
InChIKeyZCDOTOOXQAFDLE-UHFFFAOYSA-N
XLogP0.70
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-amino-4-ethoxycyclobutyl)amino]-3-fluorobenzamide
CID 66197069
N-(2-amino-4-ethoxycyclobutyl)-2-bromobenzamide
CID 66195102
N-(2-amino-4-ethoxycyclobutyl)naphthalene-1-carboxamide
CID 66194914
N-(2-amino-4-ethoxycyclobutyl)-2-methylsulfanylbenzamide
CID 79217631
3-ethoxy-2-N-(6-methylpyridazin-3-yl)cyclobutane-1,2-diamine
CID 66196104
3-ethoxy-2-N-(5-nitro-2-pyridinyl)cyclobutane-1,2-diamine
CID 66196866
2-(cyclopropylamino)benzamide
CID 119089293
N-(2-amino-4-ethoxycyclobutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 104772875
N-(2-amino-4-ethoxycyclobutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127273
N-(2-amino-4-ethoxycyclobutyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 66197601
N-(2-amino-4-ethoxycyclobutyl)-2,4-dihydroxybenzamide
CID 66195669
2-[(2-amino-4-ethoxycyclobutyl)amino]-4-methylbenzonitrile
CID 66197058

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-ethoxycyclobutyl)amino]benzamide?
The IUPAC name of 2-[(2-amino-4-ethoxycyclobutyl)amino]benzamide (CID 66197262) is 2-[(2-amino-4-ethoxycyclobutyl)amino]benzamide.
What is the SMILES notation for 2-[(2-amino-4-ethoxycyclobutyl)amino]benzamide?
The canonical SMILES for 2-[(2-amino-4-ethoxycyclobutyl)amino]benzamide is CCOC1CC(N)C1Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[(2-amino-4-ethoxycyclobutyl)amino]benzamide?
The InChIKey is ZCDOTOOXQAFDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-18-11-7-9(14)12(11)16-10-6-4-3-5-8(10)13(15)17/h3-6,9,11-12,16H,2,7,14H2,1H3,(H2,15,17).
What are the key properties of 2-[(2-amino-4-ethoxycyclobutyl)amino]benzamide?
2-[(2-amino-4-ethoxycyclobutyl)amino]benzamide has a molecular weight of 249.31 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-ethoxycyclobutyl)amino]benzamide is sourced from PubChem (CID 66197262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).