4-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide

C14H21N3O4 — CID 60793718

IUPAC4-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide
SMILESCCNc1ccc(C(=O)N(C)C(C)COC)cc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O4/c1-5-15-12-7-6-11(8-13(12)17(19)20)14(18)16(3)10(2)9-21-4/h6-8,10,15H,5,9H2,1-4H3
InChIKeyIYHINQKTEZJAMK-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.13
Rot. Bonds7

About 4-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide

4-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide (PubChem CID 60793718) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide
PubChem CID60793718
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name4-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide
SMILESCCNc1ccc(C(=O)N(C)C(C)COC)cc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O4/c1-5-15-12-7-6-11(8-13(12)17(19)20)14(18)16(3)10(2)9-21-4/h6-8,10,15H,5,9H2,1-4H3
InChIKeyIYHINQKTEZJAMK-UHFFFAOYSA-N
XLogP2.13
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
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-methoxyethyl)-N-methyl-3-nitro-4-(propylamino)benzamide
CID 62178827
3-(ethylamino)-N-(2-methoxyethyl)-N-methyl-4-nitrobenzamide
CID 62680516
4-(3-methoxypropylamino)-N,N-dimethyl-3-nitrobenzamide
CID 82992510
4-hydrazinyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzamide
CID 115987377
4-[2-(dimethylamino)propylamino]-N-ethyl-3-nitrobenzamide
CID 82991749
4-(2-ethoxyethylamino)-N,N-dimethyl-3-nitrobenzamide
CID 82991065
N-methyl-4-(methylamino)-N-(4-methylsulfanylbutan-2-yl)-3-nitrobenzamide
CID 115637136
4-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide
CID 61465473
3-[4-(dimethylcarbamoyl)-2-nitroanilino]-2-methylpropanoic acid
CID 82989398
N-(1-aminopropan-2-yl)-4-[(2-chlorophenyl)methylamino]-N-methyl-3-nitrobenzamide;hydrochloride
CID 119583080
N-ethyl-4-(2-methylpropylamino)-3-nitrobenzamide
CID 82993350
4-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-3-nitrobenzamide
CID 60741118

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide?
The IUPAC name of 4-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide (CID 60793718) is 4-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide.
What is the SMILES notation for 4-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide?
The canonical SMILES for 4-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide is CCNc1ccc(C(=O)N(C)C(C)COC)cc1[N+](=O)[O-].
What is the InChIKey of 4-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide?
The InChIKey is IYHINQKTEZJAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-5-15-12-7-6-11(8-13(12)17(19)20)14(18)16(3)10(2)9-21-4/h6-8,10,15H,5,9H2,1-4H3.
What are the key properties of 4-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide?
4-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide has a molecular weight of 295.34 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 60793718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).