4-(2-methoxyethylamino)-3-nitrobenzamide

C10H13N3O4 — CID 4883684

IUPAC4-(2-methoxyethylamino)-3-nitrobenzamide
SMILESCOCCNc1ccc(C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O4/c1-17-5-4-12-8-3-2-7(10(11)14)6-9(8)13(15)16/h2-3,6,12H,4-5H2,1H3,(H2,11,14)
InChIKeySWDZGRDLRQCVOO-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.75
Rot. Bonds6

About 4-(2-methoxyethylamino)-3-nitrobenzamide

4-(2-methoxyethylamino)-3-nitrobenzamide (PubChem CID 4883684) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-(2-methoxyethylamino)-3-nitrobenzamide.

Molecular Properties

Compound Name4-(2-methoxyethylamino)-3-nitrobenzamide
PubChem CID4883684
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name4-(2-methoxyethylamino)-3-nitrobenzamide
SMILESCOCCNc1ccc(C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O4/c1-17-5-4-12-8-3-2-7(10(11)14)6-9(8)13(15)16/h2-3,6,12H,4-5H2,1H3,(H2,11,14)
InChIKeySWDZGRDLRQCVOO-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

methyl 3-(4-carbamoyl-2-nitroanilino)propanoate
CID 26453888
N-ethoxy-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 18169069
N-(2-carbamoylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 9399328
methyl 4-[2-(2-methoxyethoxy)ethylamino]-3-nitrobenzoate
CID 177149291
3-[2-(2-methoxyethylamino)ethylamino]-4-nitrobenzamide
CID 83030808
4-(3-ethoxypropylamino)-3-nitrobenzamide
CID 43386231
4-(2-aminoethylamino)-3-nitrobenzamide;hydrochloride
CID 155577579
4-(2-methoxyethylamino)-3-nitro-N-prop-2-ynylbenzamide
CID 18110138
4-[2-(2-methylphenoxy)ethylamino]-3-nitrobenzamide
CID 47061475
4-(2-but-3-enoxyethylamino)-3-nitrobenzamide
CID 103853769
4-(4-methoxybutylamino)-3-nitrobenzoic acid
CID 60965695
4-(4-aminobutylamino)-3-nitrobenzamide
CID 60894350

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylamino)-3-nitrobenzamide?
The IUPAC name of 4-(2-methoxyethylamino)-3-nitrobenzamide (CID 4883684) is 4-(2-methoxyethylamino)-3-nitrobenzamide.
What is the SMILES notation for 4-(2-methoxyethylamino)-3-nitrobenzamide?
The canonical SMILES for 4-(2-methoxyethylamino)-3-nitrobenzamide is COCCNc1ccc(C(N)=O)cc1[N+](=O)[O-].
What is the InChIKey of 4-(2-methoxyethylamino)-3-nitrobenzamide?
The InChIKey is SWDZGRDLRQCVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-17-5-4-12-8-3-2-7(10(11)14)6-9(8)13(15)16/h2-3,6,12H,4-5H2,1H3,(H2,11,14).
What are the key properties of 4-(2-methoxyethylamino)-3-nitrobenzamide?
4-(2-methoxyethylamino)-3-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 4-(2-methoxyethylamino)-3-nitrobenzamide is sourced from PubChem (CID 4883684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).