2-(2-methoxyethylamino)-5-nitrobenzamide

C10H13N3O4 — CID 2960673

IUPAC2-(2-methoxyethylamino)-5-nitrobenzamide
SMILESCOCCNc1ccc([N+](=O)[O-])cc1C(N)=O
InChIInChI=1S/C10H13N3O4/c1-17-5-4-12-9-3-2-7(13(15)16)6-8(9)10(11)14/h2-3,6,12H,4-5H2,1H3,(H2,11,14)
InChIKeyNPKTYZVTLXQWGQ-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.75
Rot. Bonds6

About 2-(2-methoxyethylamino)-5-nitrobenzamide

2-(2-methoxyethylamino)-5-nitrobenzamide (PubChem CID 2960673) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-5-nitrobenzamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-5-nitrobenzamide
PubChem CID2960673
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-(2-methoxyethylamino)-5-nitrobenzamide
SMILESCOCCNc1ccc([N+](=O)[O-])cc1C(N)=O
InChIInChI=1S/C10H13N3O4/c1-17-5-4-12-9-3-2-7(13(15)16)6-8(9)10(11)14/h2-3,6,12H,4-5H2,1H3,(H2,11,14)
InChIKeyNPKTYZVTLXQWGQ-UHFFFAOYSA-N
XLogP0.75
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)methyl 2-(2-methoxyethylamino)-5-nitrobenzoate
CID 16797334
N-(4-cyanophenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide
CID 16963092
(4-phenylphenyl)methyl 2-(2-methoxyethylamino)-5-nitrobenzoate
CID 7501127
N-(2-fluoro-5-methylphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide
CID 16963170
[2-(N-methylanilino)-2-oxoethyl] 2-(2-methoxyethylamino)-5-nitrobenzoate
CID 18776657
4-(2-methoxyethylamino)-3-nitrobenzamide
CID 4883684
[2-(4-acetylanilino)-2-oxoethyl] 2-(2-methoxyethylamino)-5-nitrobenzoate
CID 7603827
N-(1-adamantylmethyl)-2-(2-methoxyethylamino)-5-nitrobenzamide
CID 9033127
2-(2-methoxyethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide
CID 16963101
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)-5-nitrobenzamide
CID 16963156
5-nitro-2-(2-propan-2-yloxyethylamino)benzoic acid
CID 104762134
2-[(2-methyl-2-methylsulfanylpropyl)amino]-5-nitrobenzamide
CID 133327327

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-5-nitrobenzamide?
The IUPAC name of 2-(2-methoxyethylamino)-5-nitrobenzamide (CID 2960673) is 2-(2-methoxyethylamino)-5-nitrobenzamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-5-nitrobenzamide?
The canonical SMILES for 2-(2-methoxyethylamino)-5-nitrobenzamide is COCCNc1ccc([N+](=O)[O-])cc1C(N)=O.
What is the InChIKey of 2-(2-methoxyethylamino)-5-nitrobenzamide?
The InChIKey is NPKTYZVTLXQWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-17-5-4-12-9-3-2-7(13(15)16)6-8(9)10(11)14/h2-3,6,12H,4-5H2,1H3,(H2,11,14).
What are the key properties of 2-(2-methoxyethylamino)-5-nitrobenzamide?
2-(2-methoxyethylamino)-5-nitrobenzamide has a molecular weight of 239.23 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-5-nitrobenzamide is sourced from PubChem (CID 2960673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).