N-(4-butylphenyl)-2-(2,4-dinitrophenyl)acetamide

C18H19N3O5 — CID 3515824

IUPACN-(4-butylphenyl)-2-(2,4-dinitrophenyl)acetamide
SMILESCCCCc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O5/c1-2-3-4-13-5-8-15(9-6-13)19-18(22)11-14-7-10-16(20(23)24)12-17(14)21(25)26/h5-10,12H,2-4,11H2,1H3,(H,19,22)
InChIKeyOWERPDVOOCLLEG-UHFFFAOYSA-N
MW357.37 g/mol
LogP4.03
Rot. Bonds8

About N-(4-butylphenyl)-2-(2,4-dinitrophenyl)acetamide

N-(4-butylphenyl)-2-(2,4-dinitrophenyl)acetamide (PubChem CID 3515824) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(2,4-dinitrophenyl)acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(2,4-dinitrophenyl)acetamide
PubChem CID3515824
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-(4-butylphenyl)-2-(2,4-dinitrophenyl)acetamide
SMILESCCCCc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O5/c1-2-3-4-13-5-8-15(9-6-13)19-18(22)11-14-7-10-16(20(23)24)12-17(14)21(25)26/h5-10,12H,2-4,11H2,1H3,(H,19,22)
InChIKeyOWERPDVOOCLLEG-UHFFFAOYSA-N
XLogP4.03
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 54.03
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

2-(2,4-dinitrophenyl)-N-(4-methoxyphenyl)acetamide
CID 4629043
N-(4-butylphenyl)-2-(4-nitroanilino)acetamide
CID 9082113
[2-(4-butylanilino)-2-oxoethyl] 2-amino-4-nitrobenzoate
CID 7149114
N-(4-butylphenyl)-N'-(2-chloro-5-nitrophenyl)oxamide
CID 108502372
N-(4-butyl-3-nitrophenyl)acetamide
CID 71393805
2-(2,4-dinitrophenyl)-N-pyridin-3-ylacetamide
CID 4631764
N-(4-butylphenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 9404142
N-(4-butylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide
CID 7034652
N-(4-butylphenyl)-3-nitrobenzenecarbothioamide
CID 3005910
3-nitro-N-[2-oxo-2-(4-pentylanilino)ethyl]benzamide
CID 26776908
N-(4-butylphenyl)-4-chloro-2-nitrobenzamide
CID 3118662
N-(4-butylphenyl)-4-chloro-3-nitrobenzamide
CID 3453151

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(2,4-dinitrophenyl)acetamide?
The IUPAC name of N-(4-butylphenyl)-2-(2,4-dinitrophenyl)acetamide (CID 3515824) is N-(4-butylphenyl)-2-(2,4-dinitrophenyl)acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(2,4-dinitrophenyl)acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-(2,4-dinitrophenyl)acetamide is CCCCc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(2,4-dinitrophenyl)acetamide?
The InChIKey is OWERPDVOOCLLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-2-3-4-13-5-8-15(9-6-13)19-18(22)11-14-7-10-16(20(23)24)12-17(14)21(25)26/h5-10,12H,2-4,11H2,1H3,(H,19,22).
What are the key properties of N-(4-butylphenyl)-2-(2,4-dinitrophenyl)acetamide?
N-(4-butylphenyl)-2-(2,4-dinitrophenyl)acetamide has a molecular weight of 357.37 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(2,4-dinitrophenyl)acetamide is sourced from PubChem (CID 3515824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).