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

C13H20N2O4 — CID 112606111

IUPAC2-amino-N-ethyl-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide
SMILESCCN(CCO)C(=O)c1cc(OC)cc(OC)c1N
InChIInChI=1S/C13H20N2O4/c1-4-15(5-6-16)13(17)10-7-9(18-2)8-11(19-3)12(10)14/h7-8,16H,4-6,14H2,1-3H3
InChIKeyQNSFXPFTEABBAE-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.74
Rot. Bonds6

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

2-amino-N-ethyl-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide (PubChem CID 112606111) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide
PubChem CID112606111
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-amino-N-ethyl-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide
SMILESCCN(CCO)C(=O)c1cc(OC)cc(OC)c1N
InChIInChI=1S/C13H20N2O4/c1-4-15(5-6-16)13(17)10-7-9(18-2)8-11(19-3)12(10)14/h7-8,16H,4-6,14H2,1-3H3
InChIKeyQNSFXPFTEABBAE-UHFFFAOYSA-N
XLogP0.74
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-hydroxyethyl)-3,5-dimethoxy-N-propylbenzamide
CID 115950552
2-amino-3,5-dimethoxy-N,N-dipropylbenzamide
CID 115950412
N,N-diethyl-3,5-dimethoxy-2-methylbenzamide
CID 12637452
2-amino-3,5-dimethoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
CID 103338349
2-(diethylamino)ethyl 2-amino-3,5-dimethoxybenzoate
CID 115950843
2-amino-N-ethyl-3,5-dimethoxybenzamide
CID 112606069
2-amino-N-(2-amino-2-oxoethyl)-3,5-dimethoxy-N-methylbenzamide
CID 112606101
2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide
CID 113468548
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-N-methylbenzamide
CID 115950484
2-(dimethylamino)ethyl 2-amino-3,5-dimethoxybenzoate
CID 112606170
N-ethyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 39245676
2-amino-N-butyl-3,5-dimethoxybenzamide
CID 112606080

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide?
The IUPAC name of 2-amino-N-ethyl-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide (CID 112606111) is 2-amino-N-ethyl-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for 2-amino-N-ethyl-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide?
The canonical SMILES for 2-amino-N-ethyl-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide is CCN(CCO)C(=O)c1cc(OC)cc(OC)c1N.
What is the InChIKey of 2-amino-N-ethyl-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide?
The InChIKey is QNSFXPFTEABBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-4-15(5-6-16)13(17)10-7-9(18-2)8-11(19-3)12(10)14/h7-8,16H,4-6,14H2,1-3H3.
What are the key properties of 2-amino-N-ethyl-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide?
2-amino-N-ethyl-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide has a molecular weight of 268.31 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 112606111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).