N-(2,3-dihydroxypropyl)-3-methoxy-4-nitrobenzamide

C11H14N2O6 — CID 90285139

IUPACN-(2,3-dihydroxypropyl)-3-methoxy-4-nitrobenzamide
SMILESCOc1cc(C(=O)NCC(O)CO)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O6/c1-19-10-4-7(2-3-9(10)13(17)18)11(16)12-5-8(15)6-14/h2-4,8,14-15H,5-6H2,1H3,(H,12,16)
InChIKeyWFWOUZCABFPVGS-UHFFFAOYSA-N
MW270.24 g/mol
LogP-0.31
Rot. Bonds6

About N-(2,3-dihydroxypropyl)-3-methoxy-4-nitrobenzamide

N-(2,3-dihydroxypropyl)-3-methoxy-4-nitrobenzamide (PubChem CID 90285139) has the molecular formula C11H14N2O6 and a molecular weight of 270.24 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-3-methoxy-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-3-methoxy-4-nitrobenzamide
PubChem CID90285139
Molecular FormulaC11H14N2O6
Molecular Weight270.24 g/mol
Exact Mass270.09
IUPAC NameN-(2,3-dihydroxypropyl)-3-methoxy-4-nitrobenzamide
SMILESCOc1cc(C(=O)NCC(O)CO)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O6/c1-19-10-4-7(2-3-9(10)13(17)18)11(16)12-5-8(15)6-14/h2-4,8,14-15H,5-6H2,1H3,(H,12,16)
InChIKeyWFWOUZCABFPVGS-UHFFFAOYSA-N
XLogP-0.31
TPSA121.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(3-hydroxy-2-methylpropyl)-3-methoxy-4-nitrobenzamide
CID 115749189
N-(3-bromo-2-methylpropyl)-3-methoxy-4-nitrobenzamide
CID 104784829
2-methoxy-3-[(3-methoxy-4-nitrobenzoyl)amino]propanoic acid
CID 106107728
3-chloro-N-(2,3-dihydroxypropyl)-4-nitrobenzamide
CID 82780881
N-(2-cyanopropyl)-3-methoxy-4-nitrobenzamide
CID 115621263
N-(3-amino-2-methylpropyl)-3-methoxy-4-nitrobenzamide;hydrochloride
CID 119997019
N-(2-chloro-2-cyclopropylethyl)-3-methoxy-4-nitrobenzamide
CID 104784801
N-(4-chloro-2-ethylbutyl)-3-methoxy-4-nitrobenzamide
CID 104784809
N-(1-hydroxy-3-methylbutan-2-yl)-3-methoxy-4-nitrobenzamide
CID 104783705
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methoxy-4-nitrobenzamide
CID 103800936
N-[(2R)-2-hydroxypropyl]-4-methoxy-3-nitrobenzamide
CID 83031412
N-(3-bromopropyl)-3-methoxy-4-nitrobenzamide
CID 104783553

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-3-methoxy-4-nitrobenzamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-3-methoxy-4-nitrobenzamide (CID 90285139) is N-(2,3-dihydroxypropyl)-3-methoxy-4-nitrobenzamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-3-methoxy-4-nitrobenzamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-3-methoxy-4-nitrobenzamide is COc1cc(C(=O)NCC(O)CO)ccc1[N+](=O)[O-].
What is the InChIKey of N-(2,3-dihydroxypropyl)-3-methoxy-4-nitrobenzamide?
The InChIKey is WFWOUZCABFPVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6/c1-19-10-4-7(2-3-9(10)13(17)18)11(16)12-5-8(15)6-14/h2-4,8,14-15H,5-6H2,1H3,(H,12,16).
What are the key properties of N-(2,3-dihydroxypropyl)-3-methoxy-4-nitrobenzamide?
N-(2,3-dihydroxypropyl)-3-methoxy-4-nitrobenzamide has a molecular weight of 270.24 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-3-methoxy-4-nitrobenzamide is sourced from PubChem (CID 90285139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).