N-[4-(diethylaminomethyl)phenyl]-3-methyl-4-nitrobenzamide

C19H23N3O3 — CID 959332

IUPACN-[4-(diethylaminomethyl)phenyl]-3-methyl-4-nitrobenzamide
SMILESCCN(CC)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1
InChIInChI=1S/C19H23N3O3/c1-4-21(5-2)13-15-6-9-17(10-7-15)20-19(23)16-8-11-18(22(24)25)14(3)12-16/h6-12H,4-5,13H2,1-3H3,(H,20,23)
InChIKeyHGWVGTRMENRXAY-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.00
Rot. Bonds7

About N-[4-(diethylaminomethyl)phenyl]-3-methyl-4-nitrobenzamide

N-[4-(diethylaminomethyl)phenyl]-3-methyl-4-nitrobenzamide (PubChem CID 959332) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[4-(diethylaminomethyl)phenyl]-3-methyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(diethylaminomethyl)phenyl]-3-methyl-4-nitrobenzamide
PubChem CID959332
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[4-(diethylaminomethyl)phenyl]-3-methyl-4-nitrobenzamide
SMILESCCN(CC)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1
InChIInChI=1S/C19H23N3O3/c1-4-21(5-2)13-15-6-9-17(10-7-15)20-19(23)16-8-11-18(22(24)25)14(3)12-16/h6-12H,4-5,13H2,1-3H3,(H,20,23)
InChIKeyHGWVGTRMENRXAY-UHFFFAOYSA-N
XLogP4.00
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-ethylphenyl)-3-methyl-4-nitrobenzamide
CID 4065155
methyl 4-[(3-methyl-4-nitrobenzoyl)amino]benzoate
CID 5080605
4-methyl-N-[4-[[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]methyl]phenyl]-3-nitrobenzamide
CID 3443089
N-(3,4-difluorophenyl)-3-methyl-4-nitrobenzamide
CID 786997
N-[4-(acetylcarbamothioylamino)phenyl]-3-methyl-4-nitrobenzamide
CID 5230068
N-[3-(diethylamino)propyl]-3-methyl-4-nitrobenzamide
CID 2163235
5-[(3-methyl-4-nitrobenzoyl)amino]benzene-1,3-dicarboxylate
CID 7278870
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-methyl-4-nitrobenzamide
CID 55340939
N-[4-(4-chlorophenoxy)phenyl]-3-methyl-4-nitrobenzamide
CID 2279055
3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-nitrobenzamide
CID 18274650
3-hydroxy-N-(4-methylphenyl)-4-nitrobenzamide
CID 17411476
N-(4-cyclohexylphenyl)-3-methyl-4-nitrobenzamide
CID 155697179

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylaminomethyl)phenyl]-3-methyl-4-nitrobenzamide?
The IUPAC name of N-[4-(diethylaminomethyl)phenyl]-3-methyl-4-nitrobenzamide (CID 959332) is N-[4-(diethylaminomethyl)phenyl]-3-methyl-4-nitrobenzamide.
What is the SMILES notation for N-[4-(diethylaminomethyl)phenyl]-3-methyl-4-nitrobenzamide?
The canonical SMILES for N-[4-(diethylaminomethyl)phenyl]-3-methyl-4-nitrobenzamide is CCN(CC)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1.
What is the InChIKey of N-[4-(diethylaminomethyl)phenyl]-3-methyl-4-nitrobenzamide?
The InChIKey is HGWVGTRMENRXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-21(5-2)13-15-6-9-17(10-7-15)20-19(23)16-8-11-18(22(24)25)14(3)12-16/h6-12H,4-5,13H2,1-3H3,(H,20,23).
What are the key properties of N-[4-(diethylaminomethyl)phenyl]-3-methyl-4-nitrobenzamide?
N-[4-(diethylaminomethyl)phenyl]-3-methyl-4-nitrobenzamide has a molecular weight of 341.41 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylaminomethyl)phenyl]-3-methyl-4-nitrobenzamide is sourced from PubChem (CID 959332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).