3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide

C12H16N2O5 — CID 2975661

IUPAC3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide
SMILESCCOCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C12H16N2O5/c1-3-19-7-6-12(15)13-10-5-4-9(18-2)8-11(10)14(16)17/h4-5,8H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyJVYLMXKNGYXQPV-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.97
Rot. Bonds7

About 3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide

3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide (PubChem CID 2975661) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide
PubChem CID2975661
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide
SMILESCCOCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C12H16N2O5/c1-3-19-7-6-12(15)13-10-5-4-9(18-2)8-11(10)14(16)17/h4-5,8H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyJVYLMXKNGYXQPV-UHFFFAOYSA-N
XLogP1.97
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[3-(4-methoxy-2-nitroanilino)-3-oxopropyl]sulfanyl-N-(4-methoxy-2-nitrophenyl)propanamide
CID 5142693
4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide
CID 79204847
N-(4-methoxy-2-nitrophenyl)-3-phenylsulfanylpropanamide
CID 2975810
N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide
CID 90848222
N,N'-bis(4-ethoxy-2-nitrophenyl)hexanediamide
CID 5235455
N-(3-ethoxypropyl)-4-methoxy-2-nitroaniline
CID 29300264
3-ethoxy-N-(2-methoxy-4-nitrophenyl)propanamide
CID 2975776
N-(4-methoxy-2-nitrophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 108807672
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
N-(4-methoxy-2-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide
CID 16648625
3-amino-N-(4-methoxy-2-nitrophenyl)butanamide
CID 60835998
3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide
CID 4644339

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide?
The IUPAC name of 3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide (CID 2975661) is 3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide.
What is the SMILES notation for 3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide?
The canonical SMILES for 3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide is CCOCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-].
What is the InChIKey of 3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide?
The InChIKey is JVYLMXKNGYXQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-3-19-7-6-12(15)13-10-5-4-9(18-2)8-11(10)14(16)17/h4-5,8H,3,6-7H2,1-2H3,(H,13,15).
What are the key properties of 3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide?
3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide has a molecular weight of 268.27 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide is sourced from PubChem (CID 2975661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).