4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide

C13H20N4O2 — CID 63361145

IUPAC4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)c(NCCCC(N)=O)c1
InChIInChI=1S/C13H20N4O2/c1-2-16-13(19)9-5-6-10(14)11(8-9)17-7-3-4-12(15)18/h5-6,8,17H,2-4,7,14H2,1H3,(H2,15,18)(H,16,19)
InChIKeyQUEWCLSMHKWGAZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.70
Rot. Bonds7

About 4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide

4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide (PubChem CID 63361145) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide.

Molecular Properties

Compound Name4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide
PubChem CID63361145
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)c(NCCCC(N)=O)c1
InChIInChI=1S/C13H20N4O2/c1-2-16-13(19)9-5-6-10(14)11(8-9)17-7-3-4-12(15)18/h5-6,8,17H,2-4,7,14H2,1H3,(H2,15,18)(H,16,19)
InChIKeyQUEWCLSMHKWGAZ-UHFFFAOYSA-N
XLogP0.70
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 63360956
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CID 83201801
4-amino-3-(2-ethoxyethylamino)-N-ethylbenzamide
CID 55190007
4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide
CID 63360616
ethyl 4-amino-3-[(5-amino-5-oxopentyl)amino]benzoate
CID 106240801
4-amino-3-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide
CID 106166646
4-amino-N-ethyl-3-(2-pyridin-4-ylethylamino)benzamide
CID 63360526
3-amino-N-ethyl-4-(pentylamino)benzamide
CID 82999753
4-amino-N-ethyl-3-(2-piperidin-1-ylethylamino)benzamide
CID 63361068
4-amino-N-ethyl-3-[2-(furan-2-yl)ethylamino]benzamide
CID 63361152
4-amino-N-ethyl-3-(2-thiophen-2-ylethylamino)benzamide
CID 63360728

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide?
The IUPAC name of 4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide (CID 63361145) is 4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide.
What is the SMILES notation for 4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide?
The canonical SMILES for 4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide is CCNC(=O)c1ccc(N)c(NCCCC(N)=O)c1.
What is the InChIKey of 4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide?
The InChIKey is QUEWCLSMHKWGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-16-13(19)9-5-6-10(14)11(8-9)17-7-3-4-12(15)18/h5-6,8,17H,2-4,7,14H2,1H3,(H2,15,18)(H,16,19).
What are the key properties of 4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide?
4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide has a molecular weight of 264.33 g/mol, XLogP of 0.70, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide is sourced from PubChem (CID 63361145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).