3-cyclohexyl-N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]propanamide

C21H32N2O3 — CID 108539833

IUPAC3-cyclohexyl-N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]propanamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)CCC2CCCCC2)c(C)c1
InChIInChI=1S/C21H32N2O3/c1-16-8-10-19(17(2)14-16)26-15-21(25)23-13-12-22-20(24)11-9-18-6-4-3-5-7-18/h8,10,14,18H,3-7,9,11-13,15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyJNPTTWYKOZNAOA-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.28
Rot. Bonds9

About 3-cyclohexyl-N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]propanamide

3-cyclohexyl-N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]propanamide (PubChem CID 108539833) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 3-cyclohexyl-N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]propanamide
PubChem CID108539833
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name3-cyclohexyl-N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]propanamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)CCC2CCCCC2)c(C)c1
InChIInChI=1S/C21H32N2O3/c1-16-8-10-19(17(2)14-16)26-15-21(25)23-13-12-22-20(24)11-9-18-6-4-3-5-7-18/h8,10,14,18H,3-7,9,11-13,15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyJNPTTWYKOZNAOA-UHFFFAOYSA-N
XLogP3.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]propanamide
CID 108541528
2-(2,4-dimethylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 50947183
2-(2,4-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557950
3-cyclohexyl-1-[4-[2-(2,4-dimethylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 108545443
N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]-3,3-dimethylbutanamide
CID 108571573
3-cyclohexyl-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 108573893
2-(2,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119462971
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
N-(cyclohexylcarbamoyl)-2-(2,4-dimethylphenoxy)acetamide
CID 7706804
N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2,4-dimethylphenoxy)acetamide
CID 108539806
2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
trans-(1S,2R)-2-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108755772

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]propanamide (CID 108539833) is 3-cyclohexyl-N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]propanamide is Cc1ccc(OCC(=O)NCCNC(=O)CCC2CCCCC2)c(C)c1.
What is the InChIKey of 3-cyclohexyl-N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]propanamide?
The InChIKey is JNPTTWYKOZNAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-16-8-10-19(17(2)14-16)26-15-21(25)23-13-12-22-20(24)11-9-18-6-4-3-5-7-18/h8,10,14,18H,3-7,9,11-13,15H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-cyclohexyl-N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]propanamide?
3-cyclohexyl-N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]propanamide has a molecular weight of 360.50 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]propanamide is sourced from PubChem (CID 108539833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).