ethyl 4-(ethylamino)-3-[(4-nitrobenzoyl)amino]benzoate

C18H19N3O5 — CID 71902522

IUPACethyl 4-(ethylamino)-3-[(4-nitrobenzoyl)amino]benzoate
SMILESCCNc1ccc(C(=O)OCC)cc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O5/c1-3-19-15-10-7-13(18(23)26-4-2)11-16(15)20-17(22)12-5-8-14(9-6-12)21(24)25/h5-11,19H,3-4H2,1-2H3,(H,20,22)
InChIKeyDQZUHLQWZMTIGD-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.46
Rot. Bonds7

About ethyl 4-(ethylamino)-3-[(4-nitrobenzoyl)amino]benzoate

ethyl 4-(ethylamino)-3-[(4-nitrobenzoyl)amino]benzoate (PubChem CID 71902522) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is ethyl 4-(ethylamino)-3-[(4-nitrobenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-(ethylamino)-3-[(4-nitrobenzoyl)amino]benzoate
PubChem CID71902522
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Nameethyl 4-(ethylamino)-3-[(4-nitrobenzoyl)amino]benzoate
SMILESCCNc1ccc(C(=O)OCC)cc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O5/c1-3-19-15-10-7-13(18(23)26-4-2)11-16(15)20-17(22)12-5-8-14(9-6-12)21(24)25/h5-11,19H,3-4H2,1-2H3,(H,20,22)
InChIKeyDQZUHLQWZMTIGD-UHFFFAOYSA-N
XLogP3.46
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 4-[(4-nitrobenzoyl)amino]benzoate
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ethyl 2-[(4-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 1144074
ethyl 3-[(2,4-dimethylphenyl)carbamoyl]-5-nitrobenzoate
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4-(ethylamino)-N-(4-nitrophenyl)benzamide
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ethyl 3-(2-aminopentanoylamino)-4-(ethylamino)benzoate
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ethyl 4-acetamido-3-nitrobenzoate
CID 2826598
ethyl 3-[(4-bromo-2-fluorophenyl)carbamoyl]-5-nitrobenzoate
CID 26363152
N-[2-(ethylamino)-5-nitrophenyl]propanamide
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ethyl 7-nitronaphthalene-2-carboxylate
CID 171990152
ethyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride
CID 119672258

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(ethylamino)-3-[(4-nitrobenzoyl)amino]benzoate?
The IUPAC name of ethyl 4-(ethylamino)-3-[(4-nitrobenzoyl)amino]benzoate (CID 71902522) is ethyl 4-(ethylamino)-3-[(4-nitrobenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 4-(ethylamino)-3-[(4-nitrobenzoyl)amino]benzoate?
The canonical SMILES for ethyl 4-(ethylamino)-3-[(4-nitrobenzoyl)amino]benzoate is CCNc1ccc(C(=O)OCC)cc1NC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of ethyl 4-(ethylamino)-3-[(4-nitrobenzoyl)amino]benzoate?
The InChIKey is DQZUHLQWZMTIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-3-19-15-10-7-13(18(23)26-4-2)11-16(15)20-17(22)12-5-8-14(9-6-12)21(24)25/h5-11,19H,3-4H2,1-2H3,(H,20,22).
What are the key properties of ethyl 4-(ethylamino)-3-[(4-nitrobenzoyl)amino]benzoate?
ethyl 4-(ethylamino)-3-[(4-nitrobenzoyl)amino]benzoate has a molecular weight of 357.37 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(ethylamino)-3-[(4-nitrobenzoyl)amino]benzoate is sourced from PubChem (CID 71902522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).