N-[(4-acetamidophenyl)methyl]-4-(2-methoxyethylamino)-3-nitrobenzamide

C19H22N4O5 — CID 24628947

IUPACN-[(4-acetamidophenyl)methyl]-4-(2-methoxyethylamino)-3-nitrobenzamide
SMILESCOCCNc1ccc(C(=O)NCc2ccc(NC(C)=O)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H22N4O5/c1-13(24)22-16-6-3-14(4-7-16)12-21-19(25)15-5-8-17(20-9-10-28-2)18(11-15)23(26)27/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyVCOSJUVAYPLEOA-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.54
Rot. Bonds9

About N-[(4-acetamidophenyl)methyl]-4-(2-methoxyethylamino)-3-nitrobenzamide

N-[(4-acetamidophenyl)methyl]-4-(2-methoxyethylamino)-3-nitrobenzamide (PubChem CID 24628947) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-4-(2-methoxyethylamino)-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-4-(2-methoxyethylamino)-3-nitrobenzamide
PubChem CID24628947
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC NameN-[(4-acetamidophenyl)methyl]-4-(2-methoxyethylamino)-3-nitrobenzamide
SMILESCOCCNc1ccc(C(=O)NCc2ccc(NC(C)=O)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H22N4O5/c1-13(24)22-16-6-3-14(4-7-16)12-21-19(25)15-5-8-17(20-9-10-28-2)18(11-15)23(26)27/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyVCOSJUVAYPLEOA-UHFFFAOYSA-N
XLogP2.54
TPSA122.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(4-ethylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27826267
N-(4-iodophenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27825616
4-(2-methoxyethylamino)-3-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 27053390
4-(2-methoxyethylamino)-3-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 24512537
N-(2-anilino-2-oxoethyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 55957393
4-(2-methoxyethylamino)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-nitrobenzamide
CID 55957153
4-(benzylamino)-N-(2-methoxyethyl)-3-nitrobenzamide
CID 35864190
4-(2-methoxyethylamino)-3-nitro-N-prop-2-ynylbenzamide
CID 18110138
N-[4-[2-(4-acetyl-2-nitroanilino)ethyl]phenyl]acetamide
CID 133288010
4-(2-methoxyethylamino)-3-nitrobenzamide
CID 4883684
N-ethoxy-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 18169069
N-(3-iodophenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27826592

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-4-(2-methoxyethylamino)-3-nitrobenzamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-4-(2-methoxyethylamino)-3-nitrobenzamide (CID 24628947) is N-[(4-acetamidophenyl)methyl]-4-(2-methoxyethylamino)-3-nitrobenzamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-4-(2-methoxyethylamino)-3-nitrobenzamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-4-(2-methoxyethylamino)-3-nitrobenzamide is COCCNc1ccc(C(=O)NCc2ccc(NC(C)=O)cc2)cc1[N+](=O)[O-].
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-4-(2-methoxyethylamino)-3-nitrobenzamide?
The InChIKey is VCOSJUVAYPLEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5/c1-13(24)22-16-6-3-14(4-7-16)12-21-19(25)15-5-8-17(20-9-10-28-2)18(11-15)23(26)27/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-[(4-acetamidophenyl)methyl]-4-(2-methoxyethylamino)-3-nitrobenzamide?
N-[(4-acetamidophenyl)methyl]-4-(2-methoxyethylamino)-3-nitrobenzamide has a molecular weight of 386.41 g/mol, XLogP of 2.54, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-4-(2-methoxyethylamino)-3-nitrobenzamide is sourced from PubChem (CID 24628947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).