N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide

C16H21NO3 — CID 23410696

IUPACN-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide
SMILESCN(C(=O)COc1ccc(C=O)cc1)C1CCCCC1
InChIInChI=1S/C16H21NO3/c1-17(14-5-3-2-4-6-14)16(19)12-20-15-9-7-13(11-18)8-10-15/h7-11,14H,2-6,12H2,1H3
InChIKeyUJYVAEREWFUFLH-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.67
Rot. Bonds5

About N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide

N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide (PubChem CID 23410696) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide
PubChem CID23410696
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide
SMILESCN(C(=O)COc1ccc(C=O)cc1)C1CCCCC1
InChIInChI=1S/C16H21NO3/c1-17(14-5-3-2-4-6-14)16(19)12-20-15-9-7-13(11-18)8-10-15/h7-11,14H,2-6,12H2,1H3
InChIKeyUJYVAEREWFUFLH-UHFFFAOYSA-N
XLogP2.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide
CID 46771197
2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
2-(4-bromophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55469833
4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]-N,N-dimethylbenzamide
CID 78870115
2-(4-cyanophenoxy)-N-cycloheptyl-N-methylacetamide
CID 43409230
ethyl 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoate
CID 78765365
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-formylbenzoate
CID 23768227
N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide
CID 112818677
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide
CID 43243621
N-cycloheptyl-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
CID 51287180
N-cyclohexyl-2-(2-methoxyphenoxy)-N-methylacetamide
CID 19169782

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide (CID 23410696) is N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide is CN(C(=O)COc1ccc(C=O)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide?
The InChIKey is UJYVAEREWFUFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-17(14-5-3-2-4-6-14)16(19)12-20-15-9-7-13(11-18)8-10-15/h7-11,14H,2-6,12H2,1H3.
What are the key properties of N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide?
N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide has a molecular weight of 275.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide is sourced from PubChem (CID 23410696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).