2-(2-methoxy-5-nitrophenoxy)-N-(4-methylcyclohexyl)acetamide

C16H22N2O5 — CID 7931813

IUPAC2-(2-methoxy-5-nitrophenoxy)-N-(4-methylcyclohexyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1OCC(=O)NC1CCC(C)CC1
InChIInChI=1S/C16H22N2O5/c1-11-3-5-12(6-4-11)17-16(19)10-23-15-9-13(18(20)21)7-8-14(15)22-2/h7-9,11-12H,3-6,10H2,1-2H3,(H,17,19)
InChIKeyROTOZKPZBMIFDV-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.68
Rot. Bonds6

About 2-(2-methoxy-5-nitrophenoxy)-N-(4-methylcyclohexyl)acetamide

2-(2-methoxy-5-nitrophenoxy)-N-(4-methylcyclohexyl)acetamide (PubChem CID 7931813) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-(2-methoxy-5-nitrophenoxy)-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-5-nitrophenoxy)-N-(4-methylcyclohexyl)acetamide
PubChem CID7931813
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name2-(2-methoxy-5-nitrophenoxy)-N-(4-methylcyclohexyl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1OCC(=O)NC1CCC(C)CC1
InChIInChI=1S/C16H22N2O5/c1-11-3-5-12(6-4-11)17-16(19)10-23-15-9-13(18(20)21)7-8-14(15)22-2/h7-9,11-12H,3-6,10H2,1-2H3,(H,17,19)
InChIKeyROTOZKPZBMIFDV-UHFFFAOYSA-N
XLogP2.68
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.68
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-cyclohexyl-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931962
2-(2-methoxy-5-nitrophenoxy)-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7931983
2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide
CID 4314611
N-cyclopropyl-2-(4-nitro-2-sulfamoylphenoxy)acetamide
CID 82913033
N-cyclopropyl-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7578073
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-amino-4-nitrobenzoate
CID 7148980
1-cyclopentyl-2-(2-methoxy-5-nitrophenoxy)ethanone
CID 115648605
2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931860
2-(2-methoxy-5-nitrophenoxy)-N-pentylacetamide
CID 8566633
2-(2-chloro-4-nitrophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7865886
2-(2-chloro-4-nitrophenoxy)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7865889
ethyl N-[2-(2-methoxy-5-nitrophenoxy)acetyl]carbamate
CID 7931792

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-nitrophenoxy)-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-(2-methoxy-5-nitrophenoxy)-N-(4-methylcyclohexyl)acetamide (CID 7931813) is 2-(2-methoxy-5-nitrophenoxy)-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(2-methoxy-5-nitrophenoxy)-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(2-methoxy-5-nitrophenoxy)-N-(4-methylcyclohexyl)acetamide is COc1ccc([N+](=O)[O-])cc1OCC(=O)NC1CCC(C)CC1.
What is the InChIKey of 2-(2-methoxy-5-nitrophenoxy)-N-(4-methylcyclohexyl)acetamide?
The InChIKey is ROTOZKPZBMIFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-11-3-5-12(6-4-11)17-16(19)10-23-15-9-13(18(20)21)7-8-14(15)22-2/h7-9,11-12H,3-6,10H2,1-2H3,(H,17,19).
What are the key properties of 2-(2-methoxy-5-nitrophenoxy)-N-(4-methylcyclohexyl)acetamide?
2-(2-methoxy-5-nitrophenoxy)-N-(4-methylcyclohexyl)acetamide has a molecular weight of 322.36 g/mol, XLogP of 2.68, 6 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-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 7931813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).