3,5-diamino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide

C13H20N4O3 — CID 61109542

IUPAC3,5-diamino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCOCCNC(=O)CN(C)C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C13H20N4O3/c1-17(8-12(18)16-3-4-20-2)13(19)9-5-10(14)7-11(15)6-9/h5-7H,3-4,8,14-15H2,1-2H3,(H,16,18)
InChIKeyQINFKJIBCWWLTO-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.31
Rot. Bonds6

About 3,5-diamino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide

3,5-diamino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 61109542) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3,5-diamino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3,5-diamino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
PubChem CID61109542
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name3,5-diamino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCOCCNC(=O)CN(C)C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C13H20N4O3/c1-17(8-12(18)16-3-4-20-2)13(19)9-5-10(14)7-11(15)6-9/h5-7H,3-4,8,14-15H2,1-2H3,(H,16,18)
InChIKeyQINFKJIBCWWLTO-UHFFFAOYSA-N
XLogP-0.31
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 61115445
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 9076484
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103763536
3-chloro-4-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 103734742
3-(chloromethyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60949967
2-(3-aminophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide
CID 62499845
3-amino-5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
CID 107872407
3,5-diamino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61094798
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3,5-diaminobenzoate
CID 61322933
2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 61115700
4-(aminomethyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 60953453
methyl 2-[(3-amino-5-methoxybenzoyl)-methylamino]acetate
CID 81090418

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 3,5-diamino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide (CID 61109542) is 3,5-diamino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 3,5-diamino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 3,5-diamino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide is COCCNC(=O)CN(C)C(=O)c1cc(N)cc(N)c1.
What is the InChIKey of 3,5-diamino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is QINFKJIBCWWLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-17(8-12(18)16-3-4-20-2)13(19)9-5-10(14)7-11(15)6-9/h5-7H,3-4,8,14-15H2,1-2H3,(H,16,18).
What are the key properties of 3,5-diamino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide?
3,5-diamino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 280.33 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 61109542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).