3-hydroxy-N-methyl-4-nitro-N-propylbenzamide

C11H14N2O4 — CID 113228241

IUPAC3-hydroxy-N-methyl-4-nitro-N-propylbenzamide
SMILESCCCN(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C11H14N2O4/c1-3-6-12(2)11(15)8-4-5-9(13(16)17)10(14)7-8/h4-5,7,14H,3,6H2,1-2H3
InChIKeyHMTPBOIYPQSEHU-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.78
Rot. Bonds4

About 3-hydroxy-N-methyl-4-nitro-N-propylbenzamide

3-hydroxy-N-methyl-4-nitro-N-propylbenzamide (PubChem CID 113228241) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-4-nitro-N-propylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-4-nitro-N-propylbenzamide
PubChem CID113228241
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-hydroxy-N-methyl-4-nitro-N-propylbenzamide
SMILESCCCN(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C11H14N2O4/c1-3-6-12(2)11(15)8-4-5-9(13(16)17)10(14)7-8/h4-5,7,14H,3,6H2,1-2H3
InChIKeyHMTPBOIYPQSEHU-UHFFFAOYSA-N
XLogP1.78
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-hydroxy-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 103712023
3-hydroxy-N-methyl-4-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 18114264
3-chloro-4-hydroxy-N-methyl-N-propylbenzamide
CID 43271538
N-butyl-4-fluoro-N-methyl-3-nitrobenzamide
CID 43244068
3-chloro-N-[3-(dimethylamino)propyl]-N-methyl-4-nitrobenzamide
CID 82781655
3-hydroxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-nitrobenzamide
CID 102741897
5-chloro-N-methyl-2-nitro-N-propylbenzamide
CID 43271301
3-hydroxy-N-methyl-4-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 17412374
3-methyl-4-nitro-N,N-dipropylbenzamide
CID 786985
3-hydroxy-4-nitro-N-octylbenzamide
CID 107076296
N-ethyl-3-hydroxy-N-(1-methoxypropan-2-yl)-4-nitrobenzamide
CID 102741640
N-(2,2-dimethylpropyl)-4-hydroxy-N-methyl-3-nitrobenzamide
CID 75504895

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-4-nitro-N-propylbenzamide?
The IUPAC name of 3-hydroxy-N-methyl-4-nitro-N-propylbenzamide (CID 113228241) is 3-hydroxy-N-methyl-4-nitro-N-propylbenzamide.
What is the SMILES notation for 3-hydroxy-N-methyl-4-nitro-N-propylbenzamide?
The canonical SMILES for 3-hydroxy-N-methyl-4-nitro-N-propylbenzamide is CCCN(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1.
What is the InChIKey of 3-hydroxy-N-methyl-4-nitro-N-propylbenzamide?
The InChIKey is HMTPBOIYPQSEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-3-6-12(2)11(15)8-4-5-9(13(16)17)10(14)7-8/h4-5,7,14H,3,6H2,1-2H3.
What are the key properties of 3-hydroxy-N-methyl-4-nitro-N-propylbenzamide?
3-hydroxy-N-methyl-4-nitro-N-propylbenzamide has a molecular weight of 238.24 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-4-nitro-N-propylbenzamide is sourced from PubChem (CID 113228241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).