N-tert-butyl-4-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzamide

C19H20N4O7 — CID 17359066

IUPACN-tert-butyl-4-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H20N4O7/c1-19(2,3)21-18(25)12-4-6-13(7-5-12)20-17(24)11-30-16-9-8-14(22(26)27)10-15(16)23(28)29/h4-10H,11H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyDAYGHFMTVAPSCC-UHFFFAOYSA-N
MW416.39 g/mol
LogP3.05
Rot. Bonds7

About N-tert-butyl-4-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzamide

N-tert-butyl-4-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzamide (PubChem CID 17359066) has the molecular formula C19H20N4O7 and a molecular weight of 416.39 g/mol. Its IUPAC name is N-tert-butyl-4-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzamide
PubChem CID17359066
Molecular FormulaC19H20N4O7
Molecular Weight416.39 g/mol
Exact Mass416.13
IUPAC NameN-tert-butyl-4-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H20N4O7/c1-19(2,3)21-18(25)12-4-6-13(7-5-12)20-17(24)11-30-16-9-8-14(22(26)27)10-15(16)23(28)29/h4-10H,11H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyDAYGHFMTVAPSCC-UHFFFAOYSA-N
XLogP3.05
TPSA153.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

dimethyl 5-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 17358902
N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,4-dinitrophenoxy)acetamide
CID 17359401
N-tert-butyl-4-[[2-(4-nitroanilino)-2-oxoethyl]amino]benzamide
CID 31699865
4-[[2-(2-formyl-4-nitrophenoxy)acetyl]amino]-N-methylbenzamide
CID 27972767
2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 19237183
N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8559480
methyl 4-[[2-(2-methyl-4-nitrophenoxy)acetyl]amino]benzoate
CID 1406620
N-tert-butyl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 9323564
2-(2,4-dinitrophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 17359269
2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide
CID 7991150
N-tert-butyl-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406582
N-tert-butyl-4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide
CID 55549107

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzamide?
The IUPAC name of N-tert-butyl-4-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzamide (CID 17359066) is N-tert-butyl-4-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-4-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-4-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzamide is CC(C)(C)NC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1.
What is the InChIKey of N-tert-butyl-4-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzamide?
The InChIKey is DAYGHFMTVAPSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O7/c1-19(2,3)21-18(25)12-4-6-13(7-5-12)20-17(24)11-30-16-9-8-14(22(26)27)10-15(16)23(28)29/h4-10H,11H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of N-tert-butyl-4-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzamide?
N-tert-butyl-4-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzamide has a molecular weight of 416.39 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 17359066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).