2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4,5-dimethoxybenzamide

C13H19N3O5 — CID 106233325

IUPAC2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4,5-dimethoxybenzamide
SMILESCOc1cc(N)c(C(=O)NCCOCC(N)=O)cc1OC
InChIInChI=1S/C13H19N3O5/c1-19-10-5-8(9(14)6-11(10)20-2)13(18)16-3-4-21-7-12(15)17/h5-6H,3-4,7,14H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyAYDUPBLVWYOZHW-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.48
Rot. Bonds8

About 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4,5-dimethoxybenzamide

2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4,5-dimethoxybenzamide (PubChem CID 106233325) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4,5-dimethoxybenzamide
PubChem CID106233325
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4,5-dimethoxybenzamide
SMILESCOc1cc(N)c(C(=O)NCCOCC(N)=O)cc1OC
InChIInChI=1S/C13H19N3O5/c1-19-10-5-8(9(14)6-11(10)20-2)13(18)16-3-4-21-7-12(15)17/h5-6H,3-4,7,14H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyAYDUPBLVWYOZHW-UHFFFAOYSA-N
XLogP-0.48
TPSA125.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N-[2-(2-amino-2-oxoethoxy)ethyl]-4-bromo-2-methoxybenzamide
CID 113268416
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylbenzamide
CID 106233435
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 104592175
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluorobenzamide
CID 106233330
2-amino-4,5-dimethoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43310299
2-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106235678
2-amino-N-hydroxy-4,5-dimethoxybenzamide
CID 11535831
2-amino-4,5-dimethoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 104758258
2-amino-N-[(1-hydroxycyclopentyl)methyl]-4,5-dimethoxybenzamide
CID 65103770
2,4,5-trimethoxy-N-propylbenzamide
CID 32736700
4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide
CID 103873774
2-amino-N-(2-ethyl-2-hydroxybutyl)-4,5-dimethoxybenzamide
CID 65104180

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4,5-dimethoxybenzamide?
The IUPAC name of 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4,5-dimethoxybenzamide (CID 106233325) is 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4,5-dimethoxybenzamide.
What is the SMILES notation for 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4,5-dimethoxybenzamide?
The canonical SMILES for 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4,5-dimethoxybenzamide is COc1cc(N)c(C(=O)NCCOCC(N)=O)cc1OC.
What is the InChIKey of 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4,5-dimethoxybenzamide?
The InChIKey is AYDUPBLVWYOZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-19-10-5-8(9(14)6-11(10)20-2)13(18)16-3-4-21-7-12(15)17/h5-6H,3-4,7,14H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4,5-dimethoxybenzamide?
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4,5-dimethoxybenzamide has a molecular weight of 297.31 g/mol, XLogP of -0.48, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4,5-dimethoxybenzamide is sourced from PubChem (CID 106233325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).