N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)propanamide

C14H21NO2 — CID 47115044

IUPACN-methyl-2-(2-methyl-5-propan-2-ylphenoxy)propanamide
SMILESCNC(=O)C(C)Oc1cc(C(C)C)ccc1C
InChIInChI=1S/C14H21NO2/c1-9(2)12-7-6-10(3)13(8-12)17-11(4)14(16)15-5/h6-9,11H,1-5H3,(H,15,16)
InChIKeyAXFOPMVTUFJLKX-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.63
Rot. Bonds4

About N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)propanamide

N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)propanamide (PubChem CID 47115044) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-5-propan-2-ylphenoxy)propanamide
PubChem CID47115044
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-methyl-2-(2-methyl-5-propan-2-ylphenoxy)propanamide
SMILESCNC(=O)C(C)Oc1cc(C(C)C)ccc1C
InChIInChI=1S/C14H21NO2/c1-9(2)12-7-6-10(3)13(8-12)17-11(4)14(16)15-5/h6-9,11H,1-5H3,(H,15,16)
InChIKeyAXFOPMVTUFJLKX-UHFFFAOYSA-N
XLogP2.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(ethylamino)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119508717
2-(2-methyl-5-propan-2-ylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389695
methyl 1-[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]cyclopentane-1-carboxylate
CID 55775399
methyl 2-methoxy-5-[[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]methyl]benzoate
CID 55770623
2-(2-methyl-5-propan-2-ylphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428403
2-(2-methyl-5-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513940
2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methylpropanamide
CID 78931098
(2S)-2-(2-methyl-5-propan-2-ylphenoxy)-N-[[(Z)-3-phenylprop-2-enylidene]amino]propanamide
CID 129437604
2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
CID 4945097
(2-methyl-5-propan-2-ylphenyl) hydrogen carbonate
CID 165362768
N-(3-methylpiperidin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride
CID 120554482
4-[[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]methyl]oxane-4-carboxylic acid
CID 120542344

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)propanamide (CID 47115044) is N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)propanamide is CNC(=O)C(C)Oc1cc(C(C)C)ccc1C.
What is the InChIKey of N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)propanamide?
The InChIKey is AXFOPMVTUFJLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9(2)12-7-6-10(3)13(8-12)17-11(4)14(16)15-5/h6-9,11H,1-5H3,(H,15,16).
What are the key properties of N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)propanamide?
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)propanamide has a molecular weight of 235.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 47115044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).