5-amino-N,N-bis(2-hydroxyethyl)-2,3-dimethoxybenzamide

C13H20N2O5 — CID 82183920

IUPAC5-amino-N,N-bis(2-hydroxyethyl)-2,3-dimethoxybenzamide
SMILESCOc1cc(N)cc(C(=O)N(CCO)CCO)c1OC
InChIInChI=1S/C13H20N2O5/c1-19-11-8-9(14)7-10(12(11)20-2)13(18)15(3-5-16)4-6-17/h7-8,16-17H,3-6,14H2,1-2H3
InChIKeyDGOSTINEAVYDIC-UHFFFAOYSA-N
MW284.31 g/mol
LogP-0.29
Rot. Bonds7

About 5-amino-N,N-bis(2-hydroxyethyl)-2,3-dimethoxybenzamide

5-amino-N,N-bis(2-hydroxyethyl)-2,3-dimethoxybenzamide (PubChem CID 82183920) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 5-amino-N,N-bis(2-hydroxyethyl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound Name5-amino-N,N-bis(2-hydroxyethyl)-2,3-dimethoxybenzamide
PubChem CID82183920
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name5-amino-N,N-bis(2-hydroxyethyl)-2,3-dimethoxybenzamide
SMILESCOc1cc(N)cc(C(=O)N(CCO)CCO)c1OC
InChIInChI=1S/C13H20N2O5/c1-19-11-8-9(14)7-10(12(11)20-2)13(18)15(3-5-16)4-6-17/h7-8,16-17H,3-6,14H2,1-2H3
InChIKeyDGOSTINEAVYDIC-UHFFFAOYSA-N
XLogP-0.29
TPSA105.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N,N-bis(2-hydroxyethyl)-2,3-dimethoxybenzamide?
The IUPAC name of 5-amino-N,N-bis(2-hydroxyethyl)-2,3-dimethoxybenzamide (CID 82183920) is 5-amino-N,N-bis(2-hydroxyethyl)-2,3-dimethoxybenzamide.
What is the SMILES notation for 5-amino-N,N-bis(2-hydroxyethyl)-2,3-dimethoxybenzamide?
The canonical SMILES for 5-amino-N,N-bis(2-hydroxyethyl)-2,3-dimethoxybenzamide is COc1cc(N)cc(C(=O)N(CCO)CCO)c1OC.
What is the InChIKey of 5-amino-N,N-bis(2-hydroxyethyl)-2,3-dimethoxybenzamide?
The InChIKey is DGOSTINEAVYDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-19-11-8-9(14)7-10(12(11)20-2)13(18)15(3-5-16)4-6-17/h7-8,16-17H,3-6,14H2,1-2H3.
What are the key properties of 5-amino-N,N-bis(2-hydroxyethyl)-2,3-dimethoxybenzamide?
5-amino-N,N-bis(2-hydroxyethyl)-2,3-dimethoxybenzamide has a molecular weight of 284.31 g/mol, XLogP of -0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,N-bis(2-hydroxyethyl)-2,3-dimethoxybenzamide is sourced from PubChem (CID 82183920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).