N-ethyl-2-(4-nitrophenoxy)propanamide

C11H14N2O4 — CID 4951333

IUPACN-ethyl-2-(4-nitrophenoxy)propanamide
SMILESCCNC(=O)C(C)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H14N2O4/c1-3-12-11(14)8(2)17-10-6-4-9(5-7-10)13(15)16/h4-8H,3H2,1-2H3,(H,12,14)
InChIKeyIFDKZSLRVFFSHZ-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.50
Rot. Bonds5

About N-ethyl-2-(4-nitrophenoxy)propanamide

N-ethyl-2-(4-nitrophenoxy)propanamide (PubChem CID 4951333) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is N-ethyl-2-(4-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-ethyl-2-(4-nitrophenoxy)propanamide
PubChem CID4951333
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC NameN-ethyl-2-(4-nitrophenoxy)propanamide
SMILESCCNC(=O)C(C)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H14N2O4/c1-3-12-11(14)8(2)17-10-6-4-9(5-7-10)13(15)16/h4-8H,3H2,1-2H3,(H,12,14)
InChIKeyIFDKZSLRVFFSHZ-UHFFFAOYSA-N
XLogP1.50
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
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

2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253
2-(3-chloro-4-nitrophenoxy)-N-ethylpropanamide
CID 78977364
(2S)-2-(4-fluorophenoxy)-N-[2-(4-nitroanilino)ethyl]propanamide
CID 9309027
2-(4-methylphenoxy)-N-[2-(4-nitroanilino)ethyl]propanamide
CID 51222088
(2S)-2-(2-chloro-4-nitrophenoxy)-N-ethylpropanamide
CID 9410254
(2R)-2-(4-bromophenoxy)-N-[2-(4-nitroanilino)ethyl]propanamide
CID 9308800
N-ethyl-2-phenoxypropanamide
CID 4282518
(2S)-2-(4-nitrophenoxy)propanoic acid
CID 7922614
(2R)-2-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 94033716
N-ethyl-2-[2-(methylaminomethyl)-4-nitrophenoxy]propanamide
CID 43472642
N'-(3-ethoxypropanoyl)-2-(4-nitrophenoxy)propanehydrazide
CID 17357947
N-[4-(diethylamino)phenyl]-2-(4-nitrophenoxy)propanamide
CID 4951209

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-nitrophenoxy)propanamide?
The IUPAC name of N-ethyl-2-(4-nitrophenoxy)propanamide (CID 4951333) is N-ethyl-2-(4-nitrophenoxy)propanamide.
What is the SMILES notation for N-ethyl-2-(4-nitrophenoxy)propanamide?
The canonical SMILES for N-ethyl-2-(4-nitrophenoxy)propanamide is CCNC(=O)C(C)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-ethyl-2-(4-nitrophenoxy)propanamide?
The InChIKey is IFDKZSLRVFFSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-3-12-11(14)8(2)17-10-6-4-9(5-7-10)13(15)16/h4-8H,3H2,1-2H3,(H,12,14).
What are the key properties of N-ethyl-2-(4-nitrophenoxy)propanamide?
N-ethyl-2-(4-nitrophenoxy)propanamide has a molecular weight of 238.24 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-nitrophenoxy)propanamide is sourced from PubChem (CID 4951333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).