N,N-dimethyl-2-(4-nitrophenoxy)propanamide

C11H14N2O4 — CID 43887389

IUPACN,N-dimethyl-2-(4-nitrophenoxy)propanamide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C
InChIInChI=1S/C11H14N2O4/c1-8(11(14)12(2)3)17-10-6-4-9(5-7-10)13(15)16/h4-8H,1-3H3
InChIKeyQPLXDUQNFYCETP-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.45
Rot. Bonds4

About N,N-dimethyl-2-(4-nitrophenoxy)propanamide

N,N-dimethyl-2-(4-nitrophenoxy)propanamide (PubChem CID 43887389) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-nitrophenoxy)propanamide
PubChem CID43887389
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC NameN,N-dimethyl-2-(4-nitrophenoxy)propanamide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C
InChIInChI=1S/C11H14N2O4/c1-8(11(14)12(2)3)17-10-6-4-9(5-7-10)13(15)16/h4-8H,1-3H3
InChIKeyQPLXDUQNFYCETP-UHFFFAOYSA-N
XLogP1.45
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.45
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

N-methyl-2-(4-nitrophenoxy)-N-phenylpropanamide
CID 4814884
(2S)-2-(4-nitrophenoxy)propanoic acid
CID 7922614
2-(2-bromo-5-nitrophenoxy)-N,N-dimethylpropanamide
CID 103013438
2-(2-acetyl-4-nitrophenoxy)-N,N-dimethylpropanamide
CID 116541587
2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N,N-dimethylpropanamide
CID 116542020
2-(4-cyanophenoxy)-N,N-dimethylpropanamide
CID 17400502
methyl 2-[4-(4-nitrophenoxy)phenoxy]propanoate
CID 71372462
2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253
N-ethyl-2-(4-nitrophenoxy)propanamide
CID 4951333
N,N-dimethyl-2-(4-propanoylphenoxy)propanamide
CID 43085562
2-[2-(4-nitrophenoxy)propanoyloxy]benzoic acid
CID 54855182
[4-(4-nitrophenoxy)phenyl] 2-(4-phenoxyphenoxy)propanoate
CID 14498576

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-nitrophenoxy)propanamide?
The IUPAC name of N,N-dimethyl-2-(4-nitrophenoxy)propanamide (CID 43887389) is N,N-dimethyl-2-(4-nitrophenoxy)propanamide.
What is the SMILES notation for N,N-dimethyl-2-(4-nitrophenoxy)propanamide?
The canonical SMILES for N,N-dimethyl-2-(4-nitrophenoxy)propanamide is CC(Oc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(4-nitrophenoxy)propanamide?
The InChIKey is QPLXDUQNFYCETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-8(11(14)12(2)3)17-10-6-4-9(5-7-10)13(15)16/h4-8H,1-3H3.
What are the key properties of N,N-dimethyl-2-(4-nitrophenoxy)propanamide?
N,N-dimethyl-2-(4-nitrophenoxy)propanamide has a molecular weight of 238.24 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-nitrophenoxy)propanamide is sourced from PubChem (CID 43887389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).