N-(cyclohexylmethyl)-2-(2,5-dimethylphenoxy)butanamide

C19H29NO2 — CID 133240165

IUPACN-(cyclohexylmethyl)-2-(2,5-dimethylphenoxy)butanamide
SMILESCCC(Oc1cc(C)ccc1C)C(=O)NCC1CCCCC1
InChIInChI=1S/C19H29NO2/c1-4-17(22-18-12-14(2)10-11-15(18)3)19(21)20-13-16-8-6-5-7-9-16/h10-12,16-17H,4-9,13H2,1-3H3,(H,20,21)
InChIKeyFAWBNDTWUBZFGH-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.16
Rot. Bonds6

About N-(cyclohexylmethyl)-2-(2,5-dimethylphenoxy)butanamide

N-(cyclohexylmethyl)-2-(2,5-dimethylphenoxy)butanamide (PubChem CID 133240165) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(2,5-dimethylphenoxy)butanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(2,5-dimethylphenoxy)butanamide
PubChem CID133240165
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC NameN-(cyclohexylmethyl)-2-(2,5-dimethylphenoxy)butanamide
SMILESCCC(Oc1cc(C)ccc1C)C(=O)NCC1CCCCC1
InChIInChI=1S/C19H29NO2/c1-4-17(22-18-12-14(2)10-11-15(18)3)19(21)20-13-16-8-6-5-7-9-16/h10-12,16-17H,4-9,13H2,1-3H3,(H,20,21)
InChIKeyFAWBNDTWUBZFGH-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(cyclohexylmethyl)-2-(2,5-dimethylphenoxy)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide
CID 53284304
2-(2-chlorophenoxy)-N-(cyclohexylmethyl)butanamide
CID 133239958
(2S)-2-(2,5-dimethylphenoxy)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]butanamide
CID 125042983
2-(2,5-dimethylphenoxy)butanehydrazide
CID 54792983
(2R)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 30386789
(2R)-2-(2,5-dimethylphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
CID 92685617
(2S)-2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 92682902
(2R)-2-(2,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
CID 92646353
(2S)-2-(2,5-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 93486474
(2S)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,5-dimethylphenoxy)butanamide
CID 99131455
(2S)-2-(2,5-dimethylphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide
CID 92646509
(2R)-2-(2,5-dimethylphenoxy)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]butanamide
CID 99948309

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(2,5-dimethylphenoxy)butanamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(2,5-dimethylphenoxy)butanamide (CID 133240165) is N-(cyclohexylmethyl)-2-(2,5-dimethylphenoxy)butanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(2,5-dimethylphenoxy)butanamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(2,5-dimethylphenoxy)butanamide is CCC(Oc1cc(C)ccc1C)C(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(2,5-dimethylphenoxy)butanamide?
The InChIKey is FAWBNDTWUBZFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-4-17(22-18-12-14(2)10-11-15(18)3)19(21)20-13-16-8-6-5-7-9-16/h10-12,16-17H,4-9,13H2,1-3H3,(H,20,21).
What are the key properties of N-(cyclohexylmethyl)-2-(2,5-dimethylphenoxy)butanamide?
N-(cyclohexylmethyl)-2-(2,5-dimethylphenoxy)butanamide has a molecular weight of 303.45 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(2,5-dimethylphenoxy)butanamide is sourced from PubChem (CID 133240165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).