N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,5-dihydroxybenzamide

C13H20N2O4 — CID 104939248

IUPACN-[2-[2-(dimethylamino)ethoxy]ethyl]-3,5-dihydroxybenzamide
SMILESCN(C)CCOCCNC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C13H20N2O4/c1-15(2)4-6-19-5-3-14-13(18)10-7-11(16)9-12(17)8-10/h7-9,16-17H,3-6H2,1-2H3,(H,14,18)
InChIKeyONBRJYQZTWEHSL-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.41
Rot. Bonds7

About N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,5-dihydroxybenzamide

N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,5-dihydroxybenzamide (PubChem CID 104939248) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-3,5-dihydroxybenzamide
PubChem CID104939248
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-3,5-dihydroxybenzamide
SMILESCN(C)CCOCCNC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C13H20N2O4/c1-15(2)4-6-19-5-3-14-13(18)10-7-11(16)9-12(17)8-10/h7-9,16-17H,3-6H2,1-2H3,(H,14,18)
InChIKeyONBRJYQZTWEHSL-UHFFFAOYSA-N
XLogP0.41
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-hydroxy-5-methylbenzamide
CID 103939801
N-[2-(dimethylcarbamoylamino)ethyl]-3,5-dihydroxybenzamide
CID 108575005
2,5-dibromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzamide
CID 104920627
2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethylcarbamic acid
CID 126503687
N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-3,5-dihydroxybenzamide
CID 108543039
N-butyl-3,5-dihydroxybenzamide
CID 91715801
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108539471
N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108542011
3,4-dihydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide
CID 177473805
6-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazine-2-carboxamide
CID 106551650
2-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]furan-3-carboxamide
CID 106812685
5-hydroxy-1-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 15027317

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,5-dihydroxybenzamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,5-dihydroxybenzamide (CID 104939248) is N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,5-dihydroxybenzamide is CN(C)CCOCCNC(=O)c1cc(O)cc(O)c1.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,5-dihydroxybenzamide?
The InChIKey is ONBRJYQZTWEHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-15(2)4-6-19-5-3-14-13(18)10-7-11(16)9-12(17)8-10/h7-9,16-17H,3-6H2,1-2H3,(H,14,18).
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,5-dihydroxybenzamide?
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,5-dihydroxybenzamide has a molecular weight of 268.31 g/mol, XLogP of 0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,5-dihydroxybenzamide is sourced from PubChem (CID 104939248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).