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

C16H23N3O5 — CID 4632103

IUPACN,N-dibutyl-2-(2,4-dinitrophenyl)acetamide
SMILESCCCCN(CCCC)C(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C16H23N3O5/c1-3-5-9-17(10-6-4-2)16(20)11-13-7-8-14(18(21)22)12-15(13)19(23)24/h7-8,12H,3-6,9-11H2,1-2H3
InChIKeyHRXNNYZHTMDIIT-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.47
Rot. Bonds10

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

N,N-dibutyl-2-(2,4-dinitrophenyl)acetamide (PubChem CID 4632103) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is N,N-dibutyl-2-(2,4-dinitrophenyl)acetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-(2,4-dinitrophenyl)acetamide
PubChem CID4632103
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC NameN,N-dibutyl-2-(2,4-dinitrophenyl)acetamide
SMILESCCCCN(CCCC)C(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C16H23N3O5/c1-3-5-9-17(10-6-4-2)16(20)11-13-7-8-14(18(21)22)12-15(13)19(23)24/h7-8,12H,3-6,9-11H2,1-2H3
InChIKeyHRXNNYZHTMDIIT-UHFFFAOYSA-N
XLogP3.47
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.47
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-(2,4-dinitrophenyl)acetamide?
The IUPAC name of N,N-dibutyl-2-(2,4-dinitrophenyl)acetamide (CID 4632103) is N,N-dibutyl-2-(2,4-dinitrophenyl)acetamide.
What is the SMILES notation for N,N-dibutyl-2-(2,4-dinitrophenyl)acetamide?
The canonical SMILES for N,N-dibutyl-2-(2,4-dinitrophenyl)acetamide is CCCCN(CCCC)C(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of N,N-dibutyl-2-(2,4-dinitrophenyl)acetamide?
The InChIKey is HRXNNYZHTMDIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-3-5-9-17(10-6-4-2)16(20)11-13-7-8-14(18(21)22)12-15(13)19(23)24/h7-8,12H,3-6,9-11H2,1-2H3.
What are the key properties of N,N-dibutyl-2-(2,4-dinitrophenyl)acetamide?
N,N-dibutyl-2-(2,4-dinitrophenyl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 3.47, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-(2,4-dinitrophenyl)acetamide is sourced from PubChem (CID 4632103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).