N-ethyl-N-(3-hydroxypropyl)-2-(methylamino)-3-nitrobenzamide

C13H19N3O4 — CID 104773326

IUPACN-ethyl-N-(3-hydroxypropyl)-2-(methylamino)-3-nitrobenzamide
SMILESCCN(CCCO)C(=O)c1cccc([N+](=O)[O-])c1NC
InChIInChI=1S/C13H19N3O4/c1-3-15(8-5-9-17)13(18)10-6-4-7-11(16(19)20)12(10)14-2/h4,6-7,14,17H,3,5,8-9H2,1-2H3
InChIKeyFHOOXAAXKUCVLO-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.48
Rot. Bonds7

About N-ethyl-N-(3-hydroxypropyl)-2-(methylamino)-3-nitrobenzamide

N-ethyl-N-(3-hydroxypropyl)-2-(methylamino)-3-nitrobenzamide (PubChem CID 104773326) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxypropyl)-2-(methylamino)-3-nitrobenzamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxypropyl)-2-(methylamino)-3-nitrobenzamide
PubChem CID104773326
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC NameN-ethyl-N-(3-hydroxypropyl)-2-(methylamino)-3-nitrobenzamide
SMILESCCN(CCCO)C(=O)c1cccc([N+](=O)[O-])c1NC
InChIInChI=1S/C13H19N3O4/c1-3-15(8-5-9-17)13(18)10-6-4-7-11(16(19)20)12(10)14-2/h4,6-7,14,17H,3,5,8-9H2,1-2H3
InChIKeyFHOOXAAXKUCVLO-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
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-(3-chloropropyl)-N-ethyl-2-methyl-3-nitrobenzamide
CID 113469119
N-[2-(dimethylamino)ethyl]-2-(methylamino)-3-nitrobenzamide
CID 112580559
2-[ethyl(3-hydroxypropyl)carbamoyl]benzoic acid
CID 50877579
2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115771499
2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-nitropyridine-4-carboxamide
CID 103855583
N-(2-cyanoethyl)-2-(methylamino)-3-nitro-N-propan-2-ylbenzamide
CID 115936674
N',N'-dimethyl-2-(methylamino)-3-nitrobenzohydrazide
CID 112580635
N-ethyl-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide
CID 103799970
N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 107486313
N-ethyl-N-(3-hydroxypropyl)-2-(2-nitrophenoxy)acetamide
CID 115771500
(E)-N-ethyl-N-(3-hydroxypropyl)-3-(2-nitrophenyl)prop-2-enamide
CID 115771758
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-(methylamino)-3-nitrobenzamide
CID 115936858

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxypropyl)-2-(methylamino)-3-nitrobenzamide?
The IUPAC name of N-ethyl-N-(3-hydroxypropyl)-2-(methylamino)-3-nitrobenzamide (CID 104773326) is N-ethyl-N-(3-hydroxypropyl)-2-(methylamino)-3-nitrobenzamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxypropyl)-2-(methylamino)-3-nitrobenzamide?
The canonical SMILES for N-ethyl-N-(3-hydroxypropyl)-2-(methylamino)-3-nitrobenzamide is CCN(CCCO)C(=O)c1cccc([N+](=O)[O-])c1NC.
What is the InChIKey of N-ethyl-N-(3-hydroxypropyl)-2-(methylamino)-3-nitrobenzamide?
The InChIKey is FHOOXAAXKUCVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-3-15(8-5-9-17)13(18)10-6-4-7-11(16(19)20)12(10)14-2/h4,6-7,14,17H,3,5,8-9H2,1-2H3.
What are the key properties of N-ethyl-N-(3-hydroxypropyl)-2-(methylamino)-3-nitrobenzamide?
N-ethyl-N-(3-hydroxypropyl)-2-(methylamino)-3-nitrobenzamide has a molecular weight of 281.31 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxypropyl)-2-(methylamino)-3-nitrobenzamide is sourced from PubChem (CID 104773326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).