N-tert-butyl-4-[[2-(4-nitroanilino)-2-oxoethyl]amino]benzamide

C19H22N4O4 — CID 31699865

IUPACN-tert-butyl-4-[[2-(4-nitroanilino)-2-oxoethyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H22N4O4/c1-19(2,3)22-18(25)13-4-6-14(7-5-13)20-12-17(24)21-15-8-10-16(11-9-15)23(26)27/h4-11,20H,12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyZJFPZWGTOVYJGK-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.17
Rot. Bonds6

About N-tert-butyl-4-[[2-(4-nitroanilino)-2-oxoethyl]amino]benzamide

N-tert-butyl-4-[[2-(4-nitroanilino)-2-oxoethyl]amino]benzamide (PubChem CID 31699865) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-tert-butyl-4-[[2-(4-nitroanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[2-(4-nitroanilino)-2-oxoethyl]amino]benzamide
PubChem CID31699865
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC NameN-tert-butyl-4-[[2-(4-nitroanilino)-2-oxoethyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H22N4O4/c1-19(2,3)22-18(25)13-4-6-14(7-5-13)20-12-17(24)21-15-8-10-16(11-9-15)23(26)27/h4-11,20H,12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyZJFPZWGTOVYJGK-UHFFFAOYSA-N
XLogP3.17
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.17
H-Bond Donors ≤ 53
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-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54835003
N-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide
CID 54812332
N-tert-butyl-4-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzamide
CID 17359066
N-(2-methylbutan-2-yl)-4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]benzamide
CID 55918061
N-butan-2-yl-4-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834376
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834565
4-(ethylamino)-N-(4-nitrophenyl)benzamide
CID 62165605
butyl 4-[[2-(4-nitroanilino)-2-oxoethyl]amino]benzoate
CID 9084232
N-(4-butylphenyl)-2-(4-nitroanilino)acetamide
CID 9082113
N-tert-butyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820536
4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834712
N-tert-butyl-4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide
CID 31699427

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[2-(4-nitroanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-tert-butyl-4-[[2-(4-nitroanilino)-2-oxoethyl]amino]benzamide (CID 31699865) is N-tert-butyl-4-[[2-(4-nitroanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-4-[[2-(4-nitroanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-4-[[2-(4-nitroanilino)-2-oxoethyl]amino]benzamide is CC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-tert-butyl-4-[[2-(4-nitroanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is ZJFPZWGTOVYJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-19(2,3)22-18(25)13-4-6-14(7-5-13)20-12-17(24)21-15-8-10-16(11-9-15)23(26)27/h4-11,20H,12H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-tert-butyl-4-[[2-(4-nitroanilino)-2-oxoethyl]amino]benzamide?
N-tert-butyl-4-[[2-(4-nitroanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 370.41 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[2-(4-nitroanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 31699865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).