N-ethyl-4-nitro-N-propylbenzamide

C12H16N2O3 — CID 91720925

IUPACN-ethyl-4-nitro-N-propylbenzamide
SMILESCCCN(CC)C(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H16N2O3/c1-3-9-13(4-2)12(15)10-5-7-11(8-6-10)14(16)17/h5-8H,3-4,9H2,1-2H3
InChIKeyMEZZOOOCCIIBLN-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.47
Rot. Bonds5

About N-ethyl-4-nitro-N-propylbenzamide

N-ethyl-4-nitro-N-propylbenzamide (PubChem CID 91720925) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-ethyl-4-nitro-N-propylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-nitro-N-propylbenzamide
PubChem CID91720925
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-ethyl-4-nitro-N-propylbenzamide
SMILESCCCN(CC)C(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H16N2O3/c1-3-9-13(4-2)12(15)10-5-7-11(8-6-10)14(16)17/h5-8H,3-4,9H2,1-2H3
InChIKeyMEZZOOOCCIIBLN-UHFFFAOYSA-N
XLogP2.47
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-ethyl-N-heptyl-4-nitrobenzamide
CID 91721036
N-(2-chloroethyl)-N-ethyl-4-nitrobenzamide
CID 63395548
4-[(4-nitrobenzoyl)amino]-N,N-dipropylbenzamide
CID 17196099
N-butyl-4-[(4-nitrophenyl)diazenyl]-N-propylbenzamide
CID 71438380
N-hexyl-4-[(4-nitrophenyl)diazenyl]-N-propylbenzamide
CID 90473394
3-amino-N-ethyl-5-nitro-N-propylbenzamide
CID 143923071
4-[ethyl(propyl)carbamoyl]benzoic acid
CID 43452972
[ethyl(propyl)amino] 4-nitrobenzoate
CID 170345186
N-ethyl-4-nitro-N-pentan-3-ylbenzamide
CID 54020030
N-(2-amino-2-oxoethyl)-N-[2-(diethylamino)ethyl]-4-nitrobenzamide;oxalic acid;hydrate
CID 18531946
N,N-diethyl-4-[(3-nitrophenyl)methyl]benzamide
CID 142891853
4-methyl-N-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propylbenzamide
CID 91635629

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-nitro-N-propylbenzamide?
The IUPAC name of N-ethyl-4-nitro-N-propylbenzamide (CID 91720925) is N-ethyl-4-nitro-N-propylbenzamide.
What is the SMILES notation for N-ethyl-4-nitro-N-propylbenzamide?
The canonical SMILES for N-ethyl-4-nitro-N-propylbenzamide is CCCN(CC)C(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-ethyl-4-nitro-N-propylbenzamide?
The InChIKey is MEZZOOOCCIIBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-9-13(4-2)12(15)10-5-7-11(8-6-10)14(16)17/h5-8H,3-4,9H2,1-2H3.
What are the key properties of N-ethyl-4-nitro-N-propylbenzamide?
N-ethyl-4-nitro-N-propylbenzamide has a molecular weight of 236.27 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-nitro-N-propylbenzamide is sourced from PubChem (CID 91720925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).