N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3-nitrobenzamide

C17H24N4O5 — CID 24546450

IUPACN-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3-nitrobenzamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H24N4O5/c1-5-20(11-14(22)19-17(2,3)4)15(23)10-18-16(24)12-7-6-8-13(9-12)21(25)26/h6-9H,5,10-11H2,1-4H3,(H,18,24)(H,19,22)
InChIKeyRXIDZXQOONRYTK-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.09
Rot. Bonds7

About N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3-nitrobenzamide

N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3-nitrobenzamide (PubChem CID 24546450) has the molecular formula C17H24N4O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3-nitrobenzamide
PubChem CID24546450
Molecular FormulaC17H24N4O5
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC NameN-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3-nitrobenzamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H24N4O5/c1-5-20(11-14(22)19-17(2,3)4)15(23)10-18-16(24)12-7-6-8-13(9-12)21(25)26/h6-9H,5,10-11H2,1-4H3,(H,18,24)(H,19,22)
InChIKeyRXIDZXQOONRYTK-UHFFFAOYSA-N
XLogP1.09
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.09
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

N-[2-(ethoxyamino)-2-oxoethyl]-3-nitrobenzamide
CID 134056434
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-nitrophenyl)acetamide
CID 35361318
N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-2-chlorobenzamide
CID 24546452
N-(2-hydroxy-2-methylbutyl)-3-nitrobenzamide
CID 65114557
N-(3-methyl-2-oxobutyl)-3-nitrobenzamide
CID 64994183
N-[2-[(4-cyanophenyl)methyl-propylamino]-2-oxoethyl]-3-nitrobenzamide
CID 55594586
N-tert-butyl-2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoacetamide
CID 3108515
N-tert-butyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
CID 8586964
3-bromo-N-[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide
CID 51193380
2-(4-ethoxyphenoxy)ethyl 2-[(3-nitrobenzoyl)amino]acetate
CID 9269466
N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-3-nitrobenzamide
CID 42733157
N-[3-(dimethylamino)-3-oxopropyl]-3-nitrobenzamide
CID 134025655

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3-nitrobenzamide?
The IUPAC name of N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3-nitrobenzamide (CID 24546450) is N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3-nitrobenzamide.
What is the SMILES notation for N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3-nitrobenzamide?
The canonical SMILES for N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3-nitrobenzamide is CCN(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3-nitrobenzamide?
The InChIKey is RXIDZXQOONRYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5/c1-5-20(11-14(22)19-17(2,3)4)15(23)10-18-16(24)12-7-6-8-13(9-12)21(25)26/h6-9H,5,10-11H2,1-4H3,(H,18,24)(H,19,22).
What are the key properties of N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3-nitrobenzamide?
N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3-nitrobenzamide has a molecular weight of 364.40 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3-nitrobenzamide is sourced from PubChem (CID 24546450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).