N-(2-ethoxyethyl)-3-(ethylamino)-N-methyl-4-nitrobenzamide

C14H21N3O4 — CID 81062921

IUPACN-(2-ethoxyethyl)-3-(ethylamino)-N-methyl-4-nitrobenzamide
SMILESCCNc1cc(C(=O)N(C)CCOCC)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O4/c1-4-15-12-10-11(6-7-13(12)17(19)20)14(18)16(3)8-9-21-5-2/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyRCKASICUKNFTBJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.14
Rot. Bonds8

About N-(2-ethoxyethyl)-3-(ethylamino)-N-methyl-4-nitrobenzamide

N-(2-ethoxyethyl)-3-(ethylamino)-N-methyl-4-nitrobenzamide (PubChem CID 81062921) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-3-(ethylamino)-N-methyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-3-(ethylamino)-N-methyl-4-nitrobenzamide
PubChem CID81062921
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC NameN-(2-ethoxyethyl)-3-(ethylamino)-N-methyl-4-nitrobenzamide
SMILESCCNc1cc(C(=O)N(C)CCOCC)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O4/c1-4-15-12-10-11(6-7-13(12)17(19)20)14(18)16(3)8-9-21-5-2/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyRCKASICUKNFTBJ-UHFFFAOYSA-N
XLogP2.14
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

3-(ethylamino)-N-(2-methoxyethyl)-N-methyl-4-nitrobenzamide
CID 62680516
4-bromo-N-(2-ethoxyethyl)-N-methyl-3-nitrobenzamide
CID 81058314
3-(3-ethoxypropylamino)-N,N-dimethyl-4-nitrobenzamide
CID 82990387
3-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-N-methyl-4-nitrobenzamide
CID 79379535
3-(2-ethoxyethylamino)-N-ethyl-4-nitrobenzamide
CID 82988884
3,4-dichloro-N-(2-ethoxyethyl)-N-methyl-5-nitrobenzamide
CID 81059626
4-(2-ethoxyethylamino)-N,N-dimethyl-3-nitrobenzamide
CID 82991065
N-(2-methoxyethyl)-N-methyl-3-nitro-4-(propylamino)benzamide
CID 62178827
3-(2-methoxyethylamino)-N,N-dimethyl-4-nitrobenzamide
CID 82989241
3-hydroxy-N-methyl-4-nitro-N-propylbenzamide
CID 113228241
4-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide
CID 60793718
3-amino-N-(2-ethoxyethyl)-N,4-dimethylbenzamide
CID 81052864

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-3-(ethylamino)-N-methyl-4-nitrobenzamide?
The IUPAC name of N-(2-ethoxyethyl)-3-(ethylamino)-N-methyl-4-nitrobenzamide (CID 81062921) is N-(2-ethoxyethyl)-3-(ethylamino)-N-methyl-4-nitrobenzamide.
What is the SMILES notation for N-(2-ethoxyethyl)-3-(ethylamino)-N-methyl-4-nitrobenzamide?
The canonical SMILES for N-(2-ethoxyethyl)-3-(ethylamino)-N-methyl-4-nitrobenzamide is CCNc1cc(C(=O)N(C)CCOCC)ccc1[N+](=O)[O-].
What is the InChIKey of N-(2-ethoxyethyl)-3-(ethylamino)-N-methyl-4-nitrobenzamide?
The InChIKey is RCKASICUKNFTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-4-15-12-10-11(6-7-13(12)17(19)20)14(18)16(3)8-9-21-5-2/h6-7,10,15H,4-5,8-9H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-3-(ethylamino)-N-methyl-4-nitrobenzamide?
N-(2-ethoxyethyl)-3-(ethylamino)-N-methyl-4-nitrobenzamide has a molecular weight of 295.34 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-3-(ethylamino)-N-methyl-4-nitrobenzamide is sourced from PubChem (CID 81062921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).