N,N-dibenzyl-2-nitroacetamide

C16H16N2O3 — CID 108814407

IUPACN,N-dibenzyl-2-nitroacetamide
SMILESO=C(C[N+](=O)[O-])N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H16N2O3/c19-16(13-18(20)21)17(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyUDZXBUJDNLKHQZ-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.49
Rot. Bonds6

About N,N-dibenzyl-2-nitroacetamide

N,N-dibenzyl-2-nitroacetamide (PubChem CID 108814407) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N,N-dibenzyl-2-nitroacetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-nitroacetamide
PubChem CID108814407
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN,N-dibenzyl-2-nitroacetamide
SMILESO=C(C[N+](=O)[O-])N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H16N2O3/c19-16(13-18(20)21)17(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyUDZXBUJDNLKHQZ-UHFFFAOYSA-N
XLogP2.49
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.49
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

2-amino-N,N-dibenzylacetamide
CID 11107897
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N,N-dibenzyl-2-(N-methylanilino)acetamide
CID 102294551
N-benzyl-4-nitro-N-(2-phenylethyl)benzamide
CID 26881227
N,N-dibenzylbut-3-enamide
CID 134848345
N',N'-dibenzylbutanediamide
CID 101024490
nitro N-benzyl-N-(2-phenylethyl)carbamate
CID 175602568
N,N-dibenzyl-2-cyclopentylacetamide
CID 112760283
N,N-dibenzyl-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 78764902
lithium N,N-dibenzylcarbamoselenoate
CID 102135348
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
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CID 54711063

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-nitroacetamide?
The IUPAC name of N,N-dibenzyl-2-nitroacetamide (CID 108814407) is N,N-dibenzyl-2-nitroacetamide.
What is the SMILES notation for N,N-dibenzyl-2-nitroacetamide?
The canonical SMILES for N,N-dibenzyl-2-nitroacetamide is O=C(C[N+](=O)[O-])N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-nitroacetamide?
The InChIKey is UDZXBUJDNLKHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-16(13-18(20)21)17(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-13H2.
What are the key properties of N,N-dibenzyl-2-nitroacetamide?
N,N-dibenzyl-2-nitroacetamide has a molecular weight of 284.31 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-nitroacetamide is sourced from PubChem (CID 108814407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).