N-ethyl-N-heptyl-4-nitrobenzamide

C16H24N2O3 — CID 91721036

IUPACN-ethyl-N-heptyl-4-nitrobenzamide
SMILESCCCCCCCN(CC)C(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H24N2O3/c1-3-5-6-7-8-13-17(4-2)16(19)14-9-11-15(12-10-14)18(20)21/h9-12H,3-8,13H2,1-2H3
InChIKeyDOFZTWNLLZMBDH-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.03
Rot. Bonds9

About N-ethyl-N-heptyl-4-nitrobenzamide

N-ethyl-N-heptyl-4-nitrobenzamide (PubChem CID 91721036) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-ethyl-N-heptyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-ethyl-N-heptyl-4-nitrobenzamide
PubChem CID91721036
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-ethyl-N-heptyl-4-nitrobenzamide
SMILESCCCCCCCN(CC)C(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H24N2O3/c1-3-5-6-7-8-13-17(4-2)16(19)14-9-11-15(12-10-14)18(20)21/h9-12H,3-8,13H2,1-2H3
InChIKeyDOFZTWNLLZMBDH-UHFFFAOYSA-N
XLogP4.03
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze N-ethyl-N-heptyl-4-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-4-nitro-N-propylbenzamide
CID 91720925
N-hexyl-4-[(4-nitrophenyl)diazenyl]-N-propylbenzamide
CID 90473394
N-(2-chloroethyl)-N-ethyl-4-nitrobenzamide
CID 63395548
N-ethyl-4-hydroxy-N-tridecylbenzamide
CID 169026642
4-chloro-N-ethyl-N-octylbenzamide
CID 91716392
N-butyl-4-[(4-nitrophenyl)diazenyl]-N-propylbenzamide
CID 71438380
N-hexadecyl-N-(hydroxymethyl)-3-nitrobenzamide
CID 57236294
2-amino-N-butyl-N-ethyl-5-nitrobenzamide
CID 62072954
N-butyl-2-chloro-N-ethyl-4-nitrobenzamide
CID 2290302
bis(N-ethyl-N-[4-(4-nitrophenyl)butyl]octan-1-amine);oxalic acid
CID 173432190
2-chloro-N,N-dihexyl-4-nitrobenzamide
CID 4082207
4-formyl-N-hexyl-N-pentylbenzamide
CID 59994993

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-heptyl-4-nitrobenzamide?
The IUPAC name of N-ethyl-N-heptyl-4-nitrobenzamide (CID 91721036) is N-ethyl-N-heptyl-4-nitrobenzamide.
What is the SMILES notation for N-ethyl-N-heptyl-4-nitrobenzamide?
The canonical SMILES for N-ethyl-N-heptyl-4-nitrobenzamide is CCCCCCCN(CC)C(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-ethyl-N-heptyl-4-nitrobenzamide?
The InChIKey is DOFZTWNLLZMBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-5-6-7-8-13-17(4-2)16(19)14-9-11-15(12-10-14)18(20)21/h9-12H,3-8,13H2,1-2H3.
What are the key properties of N-ethyl-N-heptyl-4-nitrobenzamide?
N-ethyl-N-heptyl-4-nitrobenzamide has a molecular weight of 292.38 g/mol, XLogP of 4.03, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-heptyl-4-nitrobenzamide is sourced from PubChem (CID 91721036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).