2-(2-methoxy-5-nitrophenoxy)-N-pentylacetamide

C14H20N2O5 — CID 8566633

IUPAC2-(2-methoxy-5-nitrophenoxy)-N-pentylacetamide
SMILESCCCCCNC(=O)COc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C14H20N2O5/c1-3-4-5-8-15-14(17)10-21-13-9-11(16(18)19)6-7-12(13)20-2/h6-7,9H,3-5,8,10H2,1-2H3,(H,15,17)
InChIKeyDAETXZDKDWXWOM-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.29
Rot. Bonds9

About 2-(2-methoxy-5-nitrophenoxy)-N-pentylacetamide

2-(2-methoxy-5-nitrophenoxy)-N-pentylacetamide (PubChem CID 8566633) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-(2-methoxy-5-nitrophenoxy)-N-pentylacetamide.

Molecular Properties

Compound Name2-(2-methoxy-5-nitrophenoxy)-N-pentylacetamide
PubChem CID8566633
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-(2-methoxy-5-nitrophenoxy)-N-pentylacetamide
SMILESCCCCCNC(=O)COc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C14H20N2O5/c1-3-4-5-8-15-14(17)10-21-13-9-11(16(18)19)6-7-12(13)20-2/h6-7,9H,3-5,8,10H2,1-2H3,(H,15,17)
InChIKeyDAETXZDKDWXWOM-UHFFFAOYSA-N
XLogP2.29
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.29
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

2-(2-chloro-4-nitrophenoxy)-N-hexylacetamide
CID 8587910
2-(2-methoxy-5-nitrophenoxy)-N-(3-methylbutyl)acetamide
CID 7931749
N-heptan-2-yl-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 51216237
N-butyl-2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide
CID 61485850
ethyl N-[2-(2-methoxy-5-nitrophenoxy)acetyl]carbamate
CID 7931792
N-hexyl-2-(2-methoxyphenoxy)acetamide
CID 19169780
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931667
2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931860
(2S)-N-ethyl-2-[[2-(2-methoxy-5-nitrophenoxy)acetyl]amino]propanamide
CID 8566597
N-butyl-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide
CID 61485632
2-[2-(hydroxymethyl)-4-nitrophenoxy]-N-propylacetamide
CID 43472891
2-(2-methoxy-5-nitrophenoxy)-N-(4-methylcyclohexyl)acetamide
CID 7931813

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-nitrophenoxy)-N-pentylacetamide?
The IUPAC name of 2-(2-methoxy-5-nitrophenoxy)-N-pentylacetamide (CID 8566633) is 2-(2-methoxy-5-nitrophenoxy)-N-pentylacetamide.
What is the SMILES notation for 2-(2-methoxy-5-nitrophenoxy)-N-pentylacetamide?
The canonical SMILES for 2-(2-methoxy-5-nitrophenoxy)-N-pentylacetamide is CCCCCNC(=O)COc1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of 2-(2-methoxy-5-nitrophenoxy)-N-pentylacetamide?
The InChIKey is DAETXZDKDWXWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-3-4-5-8-15-14(17)10-21-13-9-11(16(18)19)6-7-12(13)20-2/h6-7,9H,3-5,8,10H2,1-2H3,(H,15,17).
What are the key properties of 2-(2-methoxy-5-nitrophenoxy)-N-pentylacetamide?
2-(2-methoxy-5-nitrophenoxy)-N-pentylacetamide has a molecular weight of 296.32 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-nitrophenoxy)-N-pentylacetamide is sourced from PubChem (CID 8566633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).