2-(2-methoxy-5-nitrophenoxy)-N-(3-methylbutyl)acetamide

C14H20N2O5 — CID 7931749

IUPAC2-(2-methoxy-5-nitrophenoxy)-N-(3-methylbutyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1OCC(=O)NCCC(C)C
InChIInChI=1S/C14H20N2O5/c1-10(2)6-7-15-14(17)9-21-13-8-11(16(18)19)4-5-12(13)20-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,15,17)
InChIKeyCPOXFSBGKRCHTI-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.14
Rot. Bonds8

About 2-(2-methoxy-5-nitrophenoxy)-N-(3-methylbutyl)acetamide

2-(2-methoxy-5-nitrophenoxy)-N-(3-methylbutyl)acetamide (PubChem CID 7931749) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-(2-methoxy-5-nitrophenoxy)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-5-nitrophenoxy)-N-(3-methylbutyl)acetamide
PubChem CID7931749
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-(2-methoxy-5-nitrophenoxy)-N-(3-methylbutyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1OCC(=O)NCCC(C)C
InChIInChI=1S/C14H20N2O5/c1-10(2)6-7-15-14(17)9-21-13-8-11(16(18)19)4-5-12(13)20-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,15,17)
InChIKeyCPOXFSBGKRCHTI-UHFFFAOYSA-N
XLogP2.14
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.14
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

2-(2-methoxy-5-nitrophenoxy)-N-[(2S)-6-methylheptan-2-yl]acetamide
CID 8566643
2-(2-methoxy-5-nitrophenoxy)-N-pentylacetamide
CID 8566633
(2S)-N-ethyl-2-[[2-(2-methoxy-5-nitrophenoxy)acetyl]amino]propanamide
CID 8566597
N-heptan-2-yl-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 51216237
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931667
2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931860
2-methoxy-N-(3-methylbutyl)-4-nitroaniline
CID 43720047
ethyl N-[2-(2-methoxy-5-nitrophenoxy)acetyl]carbamate
CID 7931792
N-[4-[(2R)-butan-2-yl]phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931927
N-cyclohexyl-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931962
2-[(2-methoxy-5-nitrophenyl)methyl]-1-(3-methylbutyl)guanidine
CID 111076413
2-(2-methoxy-5-nitrophenoxy)-N-(1-phenylbutyl)acetamide
CID 51184403

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-nitrophenoxy)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(2-methoxy-5-nitrophenoxy)-N-(3-methylbutyl)acetamide (CID 7931749) is 2-(2-methoxy-5-nitrophenoxy)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(2-methoxy-5-nitrophenoxy)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(2-methoxy-5-nitrophenoxy)-N-(3-methylbutyl)acetamide is COc1ccc([N+](=O)[O-])cc1OCC(=O)NCCC(C)C.
What is the InChIKey of 2-(2-methoxy-5-nitrophenoxy)-N-(3-methylbutyl)acetamide?
The InChIKey is CPOXFSBGKRCHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-10(2)6-7-15-14(17)9-21-13-8-11(16(18)19)4-5-12(13)20-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,15,17).
What are the key properties of 2-(2-methoxy-5-nitrophenoxy)-N-(3-methylbutyl)acetamide?
2-(2-methoxy-5-nitrophenoxy)-N-(3-methylbutyl)acetamide has a molecular weight of 296.32 g/mol, XLogP of 2.14, 8 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-(3-methylbutyl)acetamide is sourced from PubChem (CID 7931749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).