5-amino-N-ethyl-N-(2-methoxyethyl)-2-nitrobenzamide

C12H17N3O4 — CID 62162116

IUPAC5-amino-N-ethyl-N-(2-methoxyethyl)-2-nitrobenzamide
SMILESCCN(CCOC)C(=O)c1cc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O4/c1-3-14(6-7-19-2)12(16)10-8-9(13)4-5-11(10)15(17)18/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyLWJDOOIGGZUYMJ-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.29
Rot. Bonds6

About 5-amino-N-ethyl-N-(2-methoxyethyl)-2-nitrobenzamide

5-amino-N-ethyl-N-(2-methoxyethyl)-2-nitrobenzamide (PubChem CID 62162116) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-amino-N-ethyl-N-(2-methoxyethyl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-amino-N-ethyl-N-(2-methoxyethyl)-2-nitrobenzamide
PubChem CID62162116
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name5-amino-N-ethyl-N-(2-methoxyethyl)-2-nitrobenzamide
SMILESCCN(CCOC)C(=O)c1cc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O4/c1-3-14(6-7-19-2)12(16)10-8-9(13)4-5-11(10)15(17)18/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyLWJDOOIGGZUYMJ-UHFFFAOYSA-N
XLogP1.29
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-ethyl-5-(ethylamino)-N-(2-methoxyethyl)-2-nitrobenzamide
CID 62173773
5-amino-N-(cyclopropylmethyl)-N-ethyl-2-nitrobenzamide
CID 63939918
5-amino-N-ethyl-N-methyl-2-nitrobenzamide
CID 62154758
5-amino-N-ethyl-2-nitro-N-propan-2-ylbenzamide
CID 55041640
4-amino-3-chloro-N-ethyl-N-(2-methoxyethyl)-5-nitrobenzamide
CID 62162114
2-amino-N-ethyl-N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide
CID 104585993
5-amino-N-(3-methoxy-2-methylpropyl)-2-nitrobenzamide
CID 62161624
N,N-diethyl-5-hydroxy-2-nitrobenzamide
CID 102740327
N-ethyl-5-(ethylamino)-2-nitro-N-propylbenzamide
CID 62169452
3-[ethyl-(5-fluoro-2-nitrobenzoyl)amino]propanoic acid
CID 61006784
5-amino-N-(2-butoxyethyl)-2-nitrobenzamide
CID 62186340
5-amino-N-(2-methylpropyl)-2-nitro-N-propan-2-ylbenzamide
CID 62185663

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-N-(2-methoxyethyl)-2-nitrobenzamide?
The IUPAC name of 5-amino-N-ethyl-N-(2-methoxyethyl)-2-nitrobenzamide (CID 62162116) is 5-amino-N-ethyl-N-(2-methoxyethyl)-2-nitrobenzamide.
What is the SMILES notation for 5-amino-N-ethyl-N-(2-methoxyethyl)-2-nitrobenzamide?
The canonical SMILES for 5-amino-N-ethyl-N-(2-methoxyethyl)-2-nitrobenzamide is CCN(CCOC)C(=O)c1cc(N)ccc1[N+](=O)[O-].
What is the InChIKey of 5-amino-N-ethyl-N-(2-methoxyethyl)-2-nitrobenzamide?
The InChIKey is LWJDOOIGGZUYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-3-14(6-7-19-2)12(16)10-8-9(13)4-5-11(10)15(17)18/h4-5,8H,3,6-7,13H2,1-2H3.
What are the key properties of 5-amino-N-ethyl-N-(2-methoxyethyl)-2-nitrobenzamide?
5-amino-N-ethyl-N-(2-methoxyethyl)-2-nitrobenzamide has a molecular weight of 267.29 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-N-(2-methoxyethyl)-2-nitrobenzamide is sourced from PubChem (CID 62162116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).