N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-N-methyl-3-nitrobenzamide

C12H15N3O5 — CID 103820481

IUPACN-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-N-methyl-3-nitrobenzamide
SMILESCN(C)C(=O)CN(C)C(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C12H15N3O5/c1-13(2)10(16)7-14(3)12(18)8-5-4-6-9(11(8)17)15(19)20/h4-6,17H,7H2,1-3H3
InChIKeyDFLJISVPTNWTEJ-UHFFFAOYSA-N
MW281.27 g/mol
LogP0.46
Rot. Bonds4

About N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-N-methyl-3-nitrobenzamide

N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-N-methyl-3-nitrobenzamide (PubChem CID 103820481) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-N-methyl-3-nitrobenzamide
PubChem CID103820481
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-N-methyl-3-nitrobenzamide
SMILESCN(C)C(=O)CN(C)C(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C12H15N3O5/c1-13(2)10(16)7-14(3)12(18)8-5-4-6-9(11(8)17)15(19)20/h4-6,17H,7H2,1-3H3
InChIKeyDFLJISVPTNWTEJ-UHFFFAOYSA-N
XLogP0.46
TPSA103.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.46
H-Bond Donors ≤ 51
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

ethyl 2-[(2-hydroxy-3-nitrobenzoyl)-methylamino]acetate
CID 103746415
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2-hydroxy-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide
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N-ethyl-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide
CID 103799970
2-hydroxy-N,N,N'-trimethyl-3-nitrobenzenecarboximidamide
CID 135753762
2-hydroxy-3-nitro-N,N-bis(prop-2-enyl)benzamide
CID 103800385
CID 58418423
CID 58418423
2-hydroxy-3-nitrobenzohydrazide
CID 11367606
2-hydroxy-3-nitro-N-prop-2-ynylbenzamide
CID 103746299
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CID 99716959

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-N-methyl-3-nitrobenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-N-methyl-3-nitrobenzamide (CID 103820481) is N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-N-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-N-methyl-3-nitrobenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-N-methyl-3-nitrobenzamide is CN(C)C(=O)CN(C)C(=O)c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-N-methyl-3-nitrobenzamide?
The InChIKey is DFLJISVPTNWTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-13(2)10(16)7-14(3)12(18)8-5-4-6-9(11(8)17)15(19)20/h4-6,17H,7H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-N-methyl-3-nitrobenzamide?
N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-N-methyl-3-nitrobenzamide has a molecular weight of 281.27 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 103820481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).