2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-nitrobenzamide

C11H14N4O5 — CID 103767889

IUPAC2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-nitrobenzamide
SMILESNC(=O)COCCNC(=O)c1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C11H14N4O5/c12-9(16)6-20-5-4-14-11(17)7-2-1-3-8(10(7)13)15(18)19/h1-3H,4-6,13H2,(H2,12,16)(H,14,17)
InChIKeyDZUCPGPONJQLJS-UHFFFAOYSA-N
MW282.26 g/mol
LogP-0.59
Rot. Bonds7

About 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-nitrobenzamide

2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-nitrobenzamide (PubChem CID 103767889) has the molecular formula C11H14N4O5 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-nitrobenzamide
PubChem CID103767889
Molecular FormulaC11H14N4O5
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-nitrobenzamide
SMILESNC(=O)COCCNC(=O)c1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C11H14N4O5/c12-9(16)6-20-5-4-14-11(17)7-2-1-3-8(10(7)13)15(18)19/h1-3H,4-6,13H2,(H2,12,16)(H,14,17)
InChIKeyDZUCPGPONJQLJS-UHFFFAOYSA-N
XLogP-0.59
TPSA150.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-amino-2-oxoethoxy)ethyl]-3-chloro-2-nitrobenzamide
CID 103819811
2-amino-N-(3-ethoxypropyl)-3-nitrobenzamide
CID 112696624
2-[2-(2-amino-2-oxoethoxy)ethylamino]-3-nitrobenzoic acid
CID 106237946
2-amino-3-nitro-N-octylbenzamide
CID 115936915
2-amino-3-nitro-N-(2-sulfamoylethyl)benzamide
CID 112699109
2-amino-3-nitro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 103732898
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-chloro-4-nitrobenzamide
CID 104864836
2-amino-3-nitro-N-(2-piperidin-1-ylethyl)benzamide
CID 115677714
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-bromo-5-nitrobenzamide
CID 106235460
2-amino-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 112696758
2-amino-3-nitro-N-(2-pyridin-2-ylethyl)benzamide
CID 115677648
2-amino-N-(3-methylsulfinylbutyl)-3-nitrobenzamide
CID 115729440

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-nitrobenzamide?
The IUPAC name of 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-nitrobenzamide (CID 103767889) is 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-nitrobenzamide.
What is the SMILES notation for 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-nitrobenzamide?
The canonical SMILES for 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-nitrobenzamide is NC(=O)COCCNC(=O)c1cccc([N+](=O)[O-])c1N.
What is the InChIKey of 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-nitrobenzamide?
The InChIKey is DZUCPGPONJQLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O5/c12-9(16)6-20-5-4-14-11(17)7-2-1-3-8(10(7)13)15(18)19/h1-3H,4-6,13H2,(H2,12,16)(H,14,17).
What are the key properties of 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-nitrobenzamide?
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-nitrobenzamide has a molecular weight of 282.26 g/mol, XLogP of -0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-nitrobenzamide is sourced from PubChem (CID 103767889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).