N-(1-ethoxypropan-2-yl)-3-(ethylamino)-2-nitrobenzamide

C14H21N3O4 — CID 115548743

IUPACN-(1-ethoxypropan-2-yl)-3-(ethylamino)-2-nitrobenzamide
SMILESCCNc1cccc(C(=O)NC(C)COCC)c1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O4/c1-4-15-12-8-6-7-11(13(12)17(19)20)14(18)16-10(3)9-21-5-2/h6-8,10,15H,4-5,9H2,1-3H3,(H,16,18)
InChIKeyWEYOEQIOOXUJOJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.18
Rot. Bonds8

About N-(1-ethoxypropan-2-yl)-3-(ethylamino)-2-nitrobenzamide

N-(1-ethoxypropan-2-yl)-3-(ethylamino)-2-nitrobenzamide (PubChem CID 115548743) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-3-(ethylamino)-2-nitrobenzamide.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-3-(ethylamino)-2-nitrobenzamide
PubChem CID115548743
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC NameN-(1-ethoxypropan-2-yl)-3-(ethylamino)-2-nitrobenzamide
SMILESCCNc1cccc(C(=O)NC(C)COCC)c1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O4/c1-4-15-12-8-6-7-11(13(12)17(19)20)14(18)16-10(3)9-21-5-2/h6-8,10,15H,4-5,9H2,1-3H3,(H,16,18)
InChIKeyWEYOEQIOOXUJOJ-UHFFFAOYSA-N
XLogP2.18
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.18
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-butan-2-yl-2-nitro-3-(propylamino)benzamide
CID 115548231
3-(methylamino)-2-nitro-N-pentan-2-ylbenzamide
CID 115548112
N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide
CID 115549428
N-heptan-2-yl-3-(methylamino)-2-nitrobenzamide
CID 115548892
N-[1-(dimethylamino)propan-2-yl]-3-(methylamino)-2-nitrobenzamide
CID 82950772
3-(ethylamino)-N-(2-methylsulfanylethyl)-2-nitrobenzamide
CID 115549100
N-(1-ethoxypropan-2-yl)-3-hydroxy-2-methylbenzamide
CID 82828956
1-N,3-N-diethyl-2-nitrobenzene-1,3-diamine
CID 45118197
3-(ethylamino)-2-nitro-N-(1,2-oxazol-3-yl)benzamide
CID 115548971
N,N-diethyl-3-(ethylamino)-2-nitrobenzamide
CID 115548208
N-(1-ethoxypropan-2-yl)-2-iodobenzamide
CID 47903574
3-(ethylamino)-2-nitro-N-propan-2-yl-N-propylbenzamide
CID 115548455

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-3-(ethylamino)-2-nitrobenzamide?
The IUPAC name of N-(1-ethoxypropan-2-yl)-3-(ethylamino)-2-nitrobenzamide (CID 115548743) is N-(1-ethoxypropan-2-yl)-3-(ethylamino)-2-nitrobenzamide.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-3-(ethylamino)-2-nitrobenzamide?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-3-(ethylamino)-2-nitrobenzamide is CCNc1cccc(C(=O)NC(C)COCC)c1[N+](=O)[O-].
What is the InChIKey of N-(1-ethoxypropan-2-yl)-3-(ethylamino)-2-nitrobenzamide?
The InChIKey is WEYOEQIOOXUJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-4-15-12-8-6-7-11(13(12)17(19)20)14(18)16-10(3)9-21-5-2/h6-8,10,15H,4-5,9H2,1-3H3,(H,16,18).
What are the key properties of N-(1-ethoxypropan-2-yl)-3-(ethylamino)-2-nitrobenzamide?
N-(1-ethoxypropan-2-yl)-3-(ethylamino)-2-nitrobenzamide has a molecular weight of 295.34 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-3-(ethylamino)-2-nitrobenzamide is sourced from PubChem (CID 115548743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).