2-(5-methyl-2-propan-2-ylphenoxy)-N-piperidin-4-yl-N-propylpropanamide

C21H34N2O2 — CID 119825707

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-N-piperidin-4-yl-N-propylpropanamide
SMILESCCCN(C(=O)C(C)Oc1cc(C)ccc1C(C)C)C1CCNCC1
InChIInChI=1S/C21H34N2O2/c1-6-13-23(18-9-11-22-12-10-18)21(24)17(5)25-20-14-16(4)7-8-19(20)15(2)3/h7-8,14-15,17-18,22H,6,9-13H2,1-5H3
InChIKeyNRUAKVVFXOMFDR-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.88
Rot. Bonds7

About 2-(5-methyl-2-propan-2-ylphenoxy)-N-piperidin-4-yl-N-propylpropanamide

2-(5-methyl-2-propan-2-ylphenoxy)-N-piperidin-4-yl-N-propylpropanamide (PubChem CID 119825707) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-N-piperidin-4-yl-N-propylpropanamide.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-N-piperidin-4-yl-N-propylpropanamide
PubChem CID119825707
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-N-piperidin-4-yl-N-propylpropanamide
SMILESCCCN(C(=O)C(C)Oc1cc(C)ccc1C(C)C)C1CCNCC1
InChIInChI=1S/C21H34N2O2/c1-6-13-23(18-9-11-22-12-10-18)21(24)17(5)25-20-14-16(4)7-8-19(20)15(2)3/h7-8,14-15,17-18,22H,6,9-13H2,1-5H3
InChIKeyNRUAKVVFXOMFDR-UHFFFAOYSA-N
XLogP3.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-5-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532550
2-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119529832
2-(2-bromo-4-fluorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824478
2-(2-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119531842
2-(4-methylsulfanylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119823825
N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 3707054
2-(5-methyl-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 24696652
3-[ethyl-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]amino]propanoic acid
CID 119190845
2-(5-methyl-2-propan-2-ylphenoxy)pentan-3-one
CID 64866513
2-(4-methoxyphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532521
(2R)-N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 7499253
2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 47095241

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-piperidin-4-yl-N-propylpropanamide?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-piperidin-4-yl-N-propylpropanamide (CID 119825707) is 2-(5-methyl-2-propan-2-ylphenoxy)-N-piperidin-4-yl-N-propylpropanamide.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-N-piperidin-4-yl-N-propylpropanamide?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-N-piperidin-4-yl-N-propylpropanamide is CCCN(C(=O)C(C)Oc1cc(C)ccc1C(C)C)C1CCNCC1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-N-piperidin-4-yl-N-propylpropanamide?
The InChIKey is NRUAKVVFXOMFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-6-13-23(18-9-11-22-12-10-18)21(24)17(5)25-20-14-16(4)7-8-19(20)15(2)3/h7-8,14-15,17-18,22H,6,9-13H2,1-5H3.
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-N-piperidin-4-yl-N-propylpropanamide?
2-(5-methyl-2-propan-2-ylphenoxy)-N-piperidin-4-yl-N-propylpropanamide has a molecular weight of 346.52 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-N-piperidin-4-yl-N-propylpropanamide is sourced from PubChem (CID 119825707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).