N-[2-(diethylamino)ethyl]-5-hydroxy-2-nitrobenzamide

C13H19N3O4 — CID 102740736

IUPACN-[2-(diethylamino)ethyl]-5-hydroxy-2-nitrobenzamide
SMILESCCN(CC)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O4/c1-3-15(4-2)8-7-14-13(18)11-9-10(17)5-6-12(11)16(19)20/h5-6,9,17H,3-4,7-8H2,1-2H3,(H,14,18)
InChIKeyFDQSQECNSIPOBO-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.37
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-5-hydroxy-2-nitrobenzamide

N-[2-(diethylamino)ethyl]-5-hydroxy-2-nitrobenzamide (PubChem CID 102740736) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-hydroxy-2-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-hydroxy-2-nitrobenzamide
PubChem CID102740736
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC NameN-[2-(diethylamino)ethyl]-5-hydroxy-2-nitrobenzamide
SMILESCCN(CC)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O4/c1-3-15(4-2)8-7-14-13(18)11-9-10(17)5-6-12(11)16(19)20/h5-6,9,17H,3-4,7-8H2,1-2H3,(H,14,18)
InChIKeyFDQSQECNSIPOBO-UHFFFAOYSA-N
XLogP1.37
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(diethylamino)ethyl]-2-nitrobenzamide
CID 15943
N-[3-(dimethylamino)propyl]-5-hydroxy-2-nitrobenzamide
CID 102740857
N-(3,3-dimethylbutyl)-5-hydroxy-2-nitrobenzamide
CID 107076627
5-hydroxy-N-(2-methylsulfonylethyl)-2-nitrobenzamide
CID 102741327
ethyl 3-[(5-hydroxy-2-nitrobenzoyl)amino]propanoate
CID 99798720
N-but-3-ynyl-5-hydroxy-2-nitrobenzamide
CID 102741872
ethyl 4-[(5-hydroxy-2-nitrobenzoyl)amino]butanoate
CID 107076096
N,N-diethyl-5-hydroxy-2-nitrobenzamide
CID 102740327
3-amino-N-[2-(diethylamino)ethyl]-4-nitrobenzamide
CID 62682092
5-hydroxy-N-(2-methylbutyl)-2-nitrobenzamide
CID 102741753
N-[3-(diethylamino)propyl]-2-nitrobenzamide
CID 3286089
5-hydroxy-2-nitro-N-(2-sulfamoylethyl)benzamide
CID 102741166

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-hydroxy-2-nitrobenzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-hydroxy-2-nitrobenzamide (CID 102740736) is N-[2-(diethylamino)ethyl]-5-hydroxy-2-nitrobenzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-hydroxy-2-nitrobenzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-hydroxy-2-nitrobenzamide is CCN(CC)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-].
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-hydroxy-2-nitrobenzamide?
The InChIKey is FDQSQECNSIPOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-3-15(4-2)8-7-14-13(18)11-9-10(17)5-6-12(11)16(19)20/h5-6,9,17H,3-4,7-8H2,1-2H3,(H,14,18).
What are the key properties of N-[2-(diethylamino)ethyl]-5-hydroxy-2-nitrobenzamide?
N-[2-(diethylamino)ethyl]-5-hydroxy-2-nitrobenzamide has a molecular weight of 281.31 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-hydroxy-2-nitrobenzamide is sourced from PubChem (CID 102740736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).