N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide

C20H24N2O5 — CID 17359381

IUPACN-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
SMILESCCC(C)(C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C20H24N2O5/c1-5-20(2,3)14-6-9-16(10-7-14)27-13-19(23)21-17-12-15(22(24)25)8-11-18(17)26-4/h6-12H,5,13H2,1-4H3,(H,21,23)
InChIKeyTWPQSNLCHKANAS-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.31
Rot. Bonds8

About N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide

N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide (PubChem CID 17359381) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
PubChem CID17359381
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC NameN-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
SMILESCCC(C)(C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C20H24N2O5/c1-5-20(2,3)14-6-9-16(10-7-14)27-13-19(23)21-17-12-15(22(24)25)8-11-18(17)26-4/h6-12H,5,13H2,1-4H3,(H,21,23)
InChIKeyTWPQSNLCHKANAS-UHFFFAOYSA-N
XLogP4.31
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.31
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-(2-methoxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949950
2-(1,3-benzodioxol-5-yloxy)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 17310218
N-(2,5-dimethoxyphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 2086441
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] propanoate
CID 2087469
2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 2513285
2-amino-2-ethyl-N-(2-methoxy-5-nitrophenyl)butanamide
CID 79809415
4-[4-(2-methylbutan-2-yl)phenoxy]-N-(2-methyl-4-nitrophenyl)butanamide
CID 19237087
3-(2-methoxy-5-nitroanilino)-3-oxopropanoic acid
CID 62230736
(2S)-2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 7870057
N-(2-methoxy-5-nitrophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7578310
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782632
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 7770646

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide (CID 17359381) is N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide is CCC(C)(C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
The InChIKey is TWPQSNLCHKANAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-5-20(2,3)14-6-9-16(10-7-14)27-13-19(23)21-17-12-15(22(24)25)8-11-18(17)26-4/h6-12H,5,13H2,1-4H3,(H,21,23).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?
N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide has a molecular weight of 372.42 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide is sourced from PubChem (CID 17359381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).