4-ethoxy-N-[2-[(4-nitrophenyl)methylamino]-2-oxoethyl]benzamide

C18H19N3O5 — CID 60552577

IUPAC4-ethoxy-N-[2-[(4-nitrophenyl)methylamino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H19N3O5/c1-2-26-16-9-5-14(6-10-16)18(23)20-12-17(22)19-11-13-3-7-15(8-4-13)21(24)25/h3-10H,2,11-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyULZRUHRJXNRFJF-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.04
Rot. Bonds8

About 4-ethoxy-N-[2-[(4-nitrophenyl)methylamino]-2-oxoethyl]benzamide

4-ethoxy-N-[2-[(4-nitrophenyl)methylamino]-2-oxoethyl]benzamide (PubChem CID 60552577) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[(4-nitrophenyl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-[(4-nitrophenyl)methylamino]-2-oxoethyl]benzamide
PubChem CID60552577
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name4-ethoxy-N-[2-[(4-nitrophenyl)methylamino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H19N3O5/c1-2-26-16-9-5-14(6-10-16)18(23)20-12-17(22)19-11-13-3-7-15(8-4-13)21(24)25/h3-10H,2,11-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyULZRUHRJXNRFJF-UHFFFAOYSA-N
XLogP2.04
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-ethoxy-N-[2-[(2-hydroxy-5-nitrophenyl)methylamino]-2-oxoethyl]benzamide
CID 46521637
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 27660429
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
N-[2-(ethylamino)-2-oxoethyl]-4-nitrobenzamide
CID 9224321
4-[[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
CID 55636040
N-[(3-ethoxyphenyl)methyl]-4-nitrobenzamide
CID 71820489
1-[(4-ethoxyphenyl)methyl]-3-(4-nitrophenyl)urea
CID 108884371
N-[(4-ethylphenyl)methyl]-4-nitrobenzamide
CID 71822483
4-ethoxy-N-[2-oxo-2-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]ethyl]benzamide
CID 46465059
4-ethoxy-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide
CID 108572022
N-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide
CID 60918064
N-[(4-ethoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119714333

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[(4-nitrophenyl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-[(4-nitrophenyl)methylamino]-2-oxoethyl]benzamide (CID 60552577) is 4-ethoxy-N-[2-[(4-nitrophenyl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-[(4-nitrophenyl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-[(4-nitrophenyl)methylamino]-2-oxoethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-[(4-nitrophenyl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is ULZRUHRJXNRFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-2-26-16-9-5-14(6-10-16)18(23)20-12-17(22)19-11-13-3-7-15(8-4-13)21(24)25/h3-10H,2,11-12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 4-ethoxy-N-[2-[(4-nitrophenyl)methylamino]-2-oxoethyl]benzamide?
4-ethoxy-N-[2-[(4-nitrophenyl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 357.37 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-[(4-nitrophenyl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 60552577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).