N-ethyl-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide

C12H15N3O5 — CID 103799970

IUPACN-ethyl-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide
SMILESCCN(CC(=O)NC)C(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C12H15N3O5/c1-3-14(7-10(16)13-2)12(18)8-5-4-6-9(11(8)17)15(19)20/h4-6,17H,3,7H2,1-2H3,(H,13,16)
InChIKeySIOREXFGTURYHG-UHFFFAOYSA-N
MW281.27 g/mol
LogP0.51
Rot. Bonds5

About N-ethyl-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide

N-ethyl-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide (PubChem CID 103799970) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is N-ethyl-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-ethyl-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide
PubChem CID103799970
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC NameN-ethyl-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide
SMILESCCN(CC(=O)NC)C(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C12H15N3O5/c1-3-14(7-10(16)13-2)12(18)8-5-4-6-9(11(8)17)15(19)20/h4-6,17H,3,7H2,1-2H3,(H,13,16)
InChIKeySIOREXFGTURYHG-UHFFFAOYSA-N
XLogP0.51
TPSA112.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.51
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-(cyclobutylmethyl)-N-ethyl-2-hydroxy-3-nitrobenzamide
CID 107399084
2-hydroxy-3-nitro-N,N-bis(prop-2-enyl)benzamide
CID 103800385
N-ethyl-2-methyl-N-(2-methylprop-2-enyl)-3-nitrobenzamide
CID 78800410
2-hydroxy-N-methyl-3-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 103746406
N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-N-methyl-3-nitrobenzamide
CID 103820481
ethyl 2-[(2-hydroxy-3-nitrobenzoyl)-methylamino]acetate
CID 103746415
N-ethyl-2-(ethylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 55177278
2-hydroxy-3-nitrobenzohydrazide
CID 11367606
CID 58418423
CID 58418423
2-[ethyl-(3-methyl-2-nitrobenzoyl)amino]acetic acid
CID 54901306
N-ethyl-N-(3-hydroxypropyl)-2-(methylamino)-3-nitrobenzamide
CID 104773326
2-hydroxy-3-nitro-N-prop-2-ynylbenzamide
CID 103746299

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide?
The IUPAC name of N-ethyl-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide (CID 103799970) is N-ethyl-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide.
What is the SMILES notation for N-ethyl-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide?
The canonical SMILES for N-ethyl-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide is CCN(CC(=O)NC)C(=O)c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of N-ethyl-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide?
The InChIKey is SIOREXFGTURYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-3-14(7-10(16)13-2)12(18)8-5-4-6-9(11(8)17)15(19)20/h4-6,17H,3,7H2,1-2H3,(H,13,16).
What are the key properties of N-ethyl-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide?
N-ethyl-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide has a molecular weight of 281.27 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide is sourced from PubChem (CID 103799970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).