2-(2-methoxy-5-nitrophenoxy)-N-(1-phenylbutyl)acetamide

C19H22N2O5 — CID 51184403

IUPAC2-(2-methoxy-5-nitrophenoxy)-N-(1-phenylbutyl)acetamide
SMILESCCCC(NC(=O)COc1cc([N+](=O)[O-])ccc1OC)c1ccccc1
InChIInChI=1S/C19H22N2O5/c1-3-7-16(14-8-5-4-6-9-14)20-19(22)13-26-18-12-15(21(23)24)10-11-17(18)25-2/h4-6,8-12,16H,3,7,13H2,1-2H3,(H,20,22)
InChIKeyARLMJOAZQGDWPU-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.64
Rot. Bonds9

About 2-(2-methoxy-5-nitrophenoxy)-N-(1-phenylbutyl)acetamide

2-(2-methoxy-5-nitrophenoxy)-N-(1-phenylbutyl)acetamide (PubChem CID 51184403) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-(2-methoxy-5-nitrophenoxy)-N-(1-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-5-nitrophenoxy)-N-(1-phenylbutyl)acetamide
PubChem CID51184403
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name2-(2-methoxy-5-nitrophenoxy)-N-(1-phenylbutyl)acetamide
SMILESCCCC(NC(=O)COc1cc([N+](=O)[O-])ccc1OC)c1ccccc1
InChIInChI=1S/C19H22N2O5/c1-3-7-16(14-8-5-4-6-9-14)20-19(22)13-26-18-12-15(21(23)24)10-11-17(18)25-2/h4-6,8-12,16H,3,7,13H2,1-2H3,(H,20,22)
InChIKeyARLMJOAZQGDWPU-UHFFFAOYSA-N
XLogP3.64
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.64
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-heptan-2-yl-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 51216237
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-chloro-5-nitrobenzoate
CID 7594554
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7932009
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7932010
2-(2-methoxy-5-nitrophenoxy)-N-[(2S)-6-methylheptan-2-yl]acetamide
CID 8566643
(2S)-N-ethyl-2-[[2-(2-methoxy-5-nitrophenoxy)acetyl]amino]propanamide
CID 8566597
2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931860
2-(2-methoxy-5-nitrophenoxy)-N-(3-methylbutyl)acetamide
CID 7931749
2-(2-methoxy-5-nitrophenoxy)-N-pentylacetamide
CID 8566633
[2-oxo-2-(1-phenylbutylamino)ethyl] (2S)-2-[(2-chloro-4-nitrobenzoyl)amino]-3-methylbutanoate
CID 55927719
ethyl N-[2-(2-methoxy-5-nitrophenoxy)acetyl]carbamate
CID 7931792
2-(4-nitrophenyl)sulfanyl-N-(1-phenylbutyl)acetamide
CID 46813464

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-nitrophenoxy)-N-(1-phenylbutyl)acetamide?
The IUPAC name of 2-(2-methoxy-5-nitrophenoxy)-N-(1-phenylbutyl)acetamide (CID 51184403) is 2-(2-methoxy-5-nitrophenoxy)-N-(1-phenylbutyl)acetamide.
What is the SMILES notation for 2-(2-methoxy-5-nitrophenoxy)-N-(1-phenylbutyl)acetamide?
The canonical SMILES for 2-(2-methoxy-5-nitrophenoxy)-N-(1-phenylbutyl)acetamide is CCCC(NC(=O)COc1cc([N+](=O)[O-])ccc1OC)c1ccccc1.
What is the InChIKey of 2-(2-methoxy-5-nitrophenoxy)-N-(1-phenylbutyl)acetamide?
The InChIKey is ARLMJOAZQGDWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-3-7-16(14-8-5-4-6-9-14)20-19(22)13-26-18-12-15(21(23)24)10-11-17(18)25-2/h4-6,8-12,16H,3,7,13H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-methoxy-5-nitrophenoxy)-N-(1-phenylbutyl)acetamide?
2-(2-methoxy-5-nitrophenoxy)-N-(1-phenylbutyl)acetamide has a molecular weight of 358.39 g/mol, XLogP of 3.64, 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-(1-phenylbutyl)acetamide is sourced from PubChem (CID 51184403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).