N-cyclododecyl-2-(4-methylphenoxy)acetamide

C21H33NO2 — CID 2788426

IUPACN-cyclododecyl-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC2CCCCCCCCCCC2)cc1
InChIInChI=1S/C21H33NO2/c1-18-13-15-20(16-14-18)24-17-21(23)22-19-11-9-7-5-3-2-4-6-8-10-12-19/h13-16,19H,2-12,17H2,1H3,(H,22,23)
InChIKeyUELQBHNKSDBOQG-UHFFFAOYSA-N
MW331.50 g/mol
LogP5.16
Rot. Bonds4

About N-cyclododecyl-2-(4-methylphenoxy)acetamide

N-cyclododecyl-2-(4-methylphenoxy)acetamide (PubChem CID 2788426) has the molecular formula C21H33NO2 and a molecular weight of 331.50 g/mol. Its IUPAC name is N-cyclododecyl-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-cyclododecyl-2-(4-methylphenoxy)acetamide
PubChem CID2788426
Molecular FormulaC21H33NO2
Molecular Weight331.50 g/mol
Exact Mass331.25
IUPAC NameN-cyclododecyl-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC2CCCCCCCCCCC2)cc1
InChIInChI=1S/C21H33NO2/c1-18-13-15-20(16-14-18)24-17-21(23)22-19-11-9-7-5-3-2-4-6-8-10-12-19/h13-16,19H,2-12,17H2,1H3,(H,22,23)
InChIKeyUELQBHNKSDBOQG-UHFFFAOYSA-N
XLogP5.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.50
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720119
2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012632
N-(4-aminocyclohexyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119474987
N-cycloheptyl-2-[4-(methylamino)phenoxy]acetamide
CID 61027576
2-(4-acetylphenoxy)-N-cyclohexylacetamide
CID 2621514
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
N-cyclohexyl-2-(4-iodophenoxy)acetamide
CID 1313853
2-(4-acetamidophenoxy)-N-cyclooctylacetamide
CID 112774945
N-cycloheptyl-2-(4-propanoylphenoxy)acetamide
CID 2549658
2-[4-(1-aminoethyl)phenoxy]-N-cyclopentylacetamide
CID 43186036
2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94803257
N-cycloheptyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129266

Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-cyclododecyl-2-(4-methylphenoxy)acetamide (CID 2788426) is N-cyclododecyl-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-cyclododecyl-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-cyclododecyl-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NC2CCCCCCCCCCC2)cc1.
What is the InChIKey of N-cyclododecyl-2-(4-methylphenoxy)acetamide?
The InChIKey is UELQBHNKSDBOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO2/c1-18-13-15-20(16-14-18)24-17-21(23)22-19-11-9-7-5-3-2-4-6-8-10-12-19/h13-16,19H,2-12,17H2,1H3,(H,22,23).
What are the key properties of N-cyclododecyl-2-(4-methylphenoxy)acetamide?
N-cyclododecyl-2-(4-methylphenoxy)acetamide has a molecular weight of 331.50 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 2788426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).