2-(5-methyl-2-nitrophenoxy)-N-[(4-phenyloxan-4-yl)methyl]acetamide

C21H24N2O5 — CID 47057881

IUPAC2-(5-methyl-2-nitrophenoxy)-N-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESCc1ccc([N+](=O)[O-])c(OCC(=O)NCC2(c3ccccc3)CCOCC2)c1
InChIInChI=1S/C21H24N2O5/c1-16-7-8-18(23(25)26)19(13-16)28-14-20(24)22-15-21(9-11-27-12-10-21)17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,22,24)
InChIKeyIORGNWMLAOORPY-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.15
Rot. Bonds7

About 2-(5-methyl-2-nitrophenoxy)-N-[(4-phenyloxan-4-yl)methyl]acetamide

2-(5-methyl-2-nitrophenoxy)-N-[(4-phenyloxan-4-yl)methyl]acetamide (PubChem CID 47057881) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-(5-methyl-2-nitrophenoxy)-N-[(4-phenyloxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-nitrophenoxy)-N-[(4-phenyloxan-4-yl)methyl]acetamide
PubChem CID47057881
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name2-(5-methyl-2-nitrophenoxy)-N-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESCc1ccc([N+](=O)[O-])c(OCC(=O)NCC2(c3ccccc3)CCOCC2)c1
InChIInChI=1S/C21H24N2O5/c1-16-7-8-18(23(25)26)19(13-16)28-14-20(24)22-15-21(9-11-27-12-10-21)17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,22,24)
InChIKeyIORGNWMLAOORPY-UHFFFAOYSA-N
XLogP3.15
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.15
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-nitro-4-sulfamoylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55868096
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 51125078
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 52739663
N-(3,4-dihydro-2H-chromen-4-yl)-2-(5-methyl-2-nitrophenoxy)acetamide
CID 46608472
2-[1-[(5-methyl-2-nitrophenoxy)methyl]cyclopropyl]acetic acid
CID 65495933
2-(2,4-dichlorophenoxy)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 42145569
2-(2-methoxyphenoxy)-N-[(4-thiophen-2-yloxan-4-yl)methyl]acetamide
CID 30943752
2-[(3-methylphenyl)methylsulfanyl]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 95933084
2-[4-(4-fluorobenzoyl)phenoxy]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55849523
2-(2-methoxyphenoxy)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 18128274
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 47071147
N-[[4-(3-methylphenyl)oxan-4-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 100517750

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-nitrophenoxy)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The IUPAC name of 2-(5-methyl-2-nitrophenoxy)-N-[(4-phenyloxan-4-yl)methyl]acetamide (CID 47057881) is 2-(5-methyl-2-nitrophenoxy)-N-[(4-phenyloxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(5-methyl-2-nitrophenoxy)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-(5-methyl-2-nitrophenoxy)-N-[(4-phenyloxan-4-yl)methyl]acetamide is Cc1ccc([N+](=O)[O-])c(OCC(=O)NCC2(c3ccccc3)CCOCC2)c1.
What is the InChIKey of 2-(5-methyl-2-nitrophenoxy)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The InChIKey is IORGNWMLAOORPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-16-7-8-18(23(25)26)19(13-16)28-14-20(24)22-15-21(9-11-27-12-10-21)17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,22,24).
What are the key properties of 2-(5-methyl-2-nitrophenoxy)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
2-(5-methyl-2-nitrophenoxy)-N-[(4-phenyloxan-4-yl)methyl]acetamide has a molecular weight of 384.43 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-nitrophenoxy)-N-[(4-phenyloxan-4-yl)methyl]acetamide is sourced from PubChem (CID 47057881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).