4-(2-methoxyethylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide

C19H23N3O4 — CID 42236853

IUPAC4-(2-methoxyethylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide
SMILESCOCCNc1ccc(C(=O)Nc2cccc(C(C)C)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H23N3O4/c1-13(2)14-5-4-6-16(11-14)21-19(23)15-7-8-17(20-9-10-26-3)18(12-15)22(24)25/h4-8,11-13,20H,9-10H2,1-3H3,(H,21,23)
InChIKeyGQUSXMSCTRWFEG-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.03
Rot. Bonds8

About 4-(2-methoxyethylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide

4-(2-methoxyethylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide (PubChem CID 42236853) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-(2-methoxyethylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(2-methoxyethylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide
PubChem CID42236853
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name4-(2-methoxyethylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide
SMILESCOCCNc1ccc(C(=O)Nc2cccc(C(C)C)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H23N3O4/c1-13(2)14-5-4-6-16(11-14)21-19(23)15-7-8-17(20-9-10-26-3)18(12-15)22(24)25/h4-8,11-13,20H,9-10H2,1-3H3,(H,21,23)
InChIKeyGQUSXMSCTRWFEG-UHFFFAOYSA-N
XLogP4.03
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.03
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

N-(3-iodophenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27826592
N-(4-iodophenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27825616
4-(cyclopropylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide
CID 9151199
N-(4-ethylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27826267
4-bromo-3-nitro-N-(3-propan-2-ylphenyl)benzamide
CID 26177953
4-(2-methoxyethylamino)-3-nitrobenzamide
CID 4883684
N-(2-anilino-2-oxoethyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 55957393
N-(2-carbamoylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 9399328
4-(2-methoxyethylamino)-3-nitro-N-(2-phenylphenyl)benzamide
CID 27826692
4-(2-aminoethylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 2947816
4-(2-methoxyethylamino)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-nitrobenzamide
CID 55957153
methyl 4-[2-(2-methoxyethoxy)ethylamino]-3-nitrobenzoate
CID 177149291

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide?
The IUPAC name of 4-(2-methoxyethylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide (CID 42236853) is 4-(2-methoxyethylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-(2-methoxyethylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide?
The canonical SMILES for 4-(2-methoxyethylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide is COCCNc1ccc(C(=O)Nc2cccc(C(C)C)c2)cc1[N+](=O)[O-].
What is the InChIKey of 4-(2-methoxyethylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide?
The InChIKey is GQUSXMSCTRWFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13(2)14-5-4-6-16(11-14)21-19(23)15-7-8-17(20-9-10-26-3)18(12-15)22(24)25/h4-8,11-13,20H,9-10H2,1-3H3,(H,21,23).
What are the key properties of 4-(2-methoxyethylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide?
4-(2-methoxyethylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide has a molecular weight of 357.41 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 42236853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).