N,N-dimethyl-3-[[[2-(2-nitrophenoxy)acetyl]amino]methyl]benzamide

C18H19N3O5 — CID 46424502

IUPACN,N-dimethyl-3-[[[2-(2-nitrophenoxy)acetyl]amino]methyl]benzamide
SMILESCN(C)C(=O)c1cccc(CNC(=O)COc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O5/c1-20(2)18(23)14-7-5-6-13(10-14)11-19-17(22)12-26-16-9-4-3-8-15(16)21(24)25/h3-10H,11-12H2,1-2H3,(H,19,22)
InChIKeyNQMCJFJYDQFLQR-UHFFFAOYSA-N
MW357.37 g/mol
LogP1.99
Rot. Bonds7

About N,N-dimethyl-3-[[[2-(2-nitrophenoxy)acetyl]amino]methyl]benzamide

N,N-dimethyl-3-[[[2-(2-nitrophenoxy)acetyl]amino]methyl]benzamide (PubChem CID 46424502) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N,N-dimethyl-3-[[[2-(2-nitrophenoxy)acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[[2-(2-nitrophenoxy)acetyl]amino]methyl]benzamide
PubChem CID46424502
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN,N-dimethyl-3-[[[2-(2-nitrophenoxy)acetyl]amino]methyl]benzamide
SMILESCN(C)C(=O)c1cccc(CNC(=O)COc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O5/c1-20(2)18(23)14-7-5-6-13(10-14)11-19-17(22)12-26-16-9-4-3-8-15(16)21(24)25/h3-10H,11-12H2,1-2H3,(H,19,22)
InChIKeyNQMCJFJYDQFLQR-UHFFFAOYSA-N
XLogP1.99
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.99
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

N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500657
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 2500342
2,2-dimethyl-3-[[2-(2-nitrophenoxy)acetyl]amino]propanoic acid
CID 115427230
N-[(2-chlorophenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500531
2-(2-nitrophenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 27554275
N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide
CID 46424485
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-ethoxybenzamide
CID 46415447
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 43019832
N-(2-bromoprop-2-enyl)-2-(2-nitrophenoxy)acetamide
CID 47439210
N-(4-hydroxybutyl)-2-(2-nitrophenoxy)acetamide
CID 106843022
N-(4-methylpentyl)-2-(2-nitrophenoxy)acetamide
CID 134023288

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[[2-(2-nitrophenoxy)acetyl]amino]methyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[[[2-(2-nitrophenoxy)acetyl]amino]methyl]benzamide (CID 46424502) is N,N-dimethyl-3-[[[2-(2-nitrophenoxy)acetyl]amino]methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[[2-(2-nitrophenoxy)acetyl]amino]methyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[[2-(2-nitrophenoxy)acetyl]amino]methyl]benzamide is CN(C)C(=O)c1cccc(CNC(=O)COc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of N,N-dimethyl-3-[[[2-(2-nitrophenoxy)acetyl]amino]methyl]benzamide?
The InChIKey is NQMCJFJYDQFLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-20(2)18(23)14-7-5-6-13(10-14)11-19-17(22)12-26-16-9-4-3-8-15(16)21(24)25/h3-10H,11-12H2,1-2H3,(H,19,22).
What are the key properties of N,N-dimethyl-3-[[[2-(2-nitrophenoxy)acetyl]amino]methyl]benzamide?
N,N-dimethyl-3-[[[2-(2-nitrophenoxy)acetyl]amino]methyl]benzamide has a molecular weight of 357.37 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[[2-(2-nitrophenoxy)acetyl]amino]methyl]benzamide is sourced from PubChem (CID 46424502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).