N,N-dibenzyl-2-(4-nitrophenoxy)acetamide

C22H20N2O4 — CID 1101021

IUPACN,N-dibenzyl-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H20N2O4/c25-22(17-28-21-13-11-20(12-14-21)24(26)27)23(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-14H,15-17H2
InChIKeyYTBZGZALZHQIES-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.20
Rot. Bonds8

About N,N-dibenzyl-2-(4-nitrophenoxy)acetamide

N,N-dibenzyl-2-(4-nitrophenoxy)acetamide (PubChem CID 1101021) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is N,N-dibenzyl-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-(4-nitrophenoxy)acetamide
PubChem CID1101021
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC NameN,N-dibenzyl-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H20N2O4/c25-22(17-28-21-13-11-20(12-14-21)24(26)27)23(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-14H,15-17H2
InChIKeyYTBZGZALZHQIES-UHFFFAOYSA-N
XLogP4.20
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Jzl-195
CID 46232606
Etofamide
CID 65718
Clefamide
CID 71819
N-Methyl-2-(4-nitrophenoxy)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 14645090
1-(4-{2-[Benzyl(methyl)amino]ethoxy}phenyl)-4-(benzyloxy)pyridin-2(1H)-one
CID 53321223
N-methyl-4-(4-nitrophenoxy)-N-[2-(4-nitrophenyl)ethyl]butan-1-amine
CID 14645095
1-[(2-Nitrophenoxy)acetyl]-1,2,3,4-tetrahydroquinoline
CID 717250
2-(3-methyl-4-nitrophenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 1247565
2-(4-acetamidophenoxy)-N-(2-phenylethyl)acetamide
CID 2450951
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2568109
2-(4-nitrophenoxy)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 11056631
4-benzyloxy-1-{4-[2-(dimethylamino)ethoxy]phenyl}-1H-pyridin-2-one
CID 11559625

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N,N-dibenzyl-2-(4-nitrophenoxy)acetamide (CID 1101021) is N,N-dibenzyl-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N,N-dibenzyl-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N,N-dibenzyl-2-(4-nitrophenoxy)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-(4-nitrophenoxy)acetamide?
The InChIKey is YTBZGZALZHQIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c25-22(17-28-21-13-11-20(12-14-21)24(26)27)23(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-14H,15-17H2.
What are the key properties of N,N-dibenzyl-2-(4-nitrophenoxy)acetamide?
N,N-dibenzyl-2-(4-nitrophenoxy)acetamide has a molecular weight of 376.41 g/mol, XLogP of 4.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 1101021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).