(2R)-N-(3-cyclopentyloxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

C21H33NO3 — CID 100667207

IUPAC(2R)-N-(3-cyclopentyloxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCCOC2CCCC2)c1
InChIInChI=1S/C21H33NO3/c1-15(2)19-11-10-16(3)14-20(19)25-17(4)21(23)22-12-7-13-24-18-8-5-6-9-18/h10-11,14-15,17-18H,5-9,12-13H2,1-4H3,(H,22,23)/t17-/m1/s1
InChIKeyGWGICPPIZMYFNN-QGZVFWFLSA-N
MW347.50 g/mol
LogP4.35
Rot. Bonds9

About (2R)-N-(3-cyclopentyloxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

(2R)-N-(3-cyclopentyloxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (PubChem CID 100667207) has the molecular formula C21H33NO3 and a molecular weight of 347.50 g/mol. Its IUPAC name is (2R)-N-(3-cyclopentyloxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(3-cyclopentyloxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
PubChem CID100667207
Molecular FormulaC21H33NO3
Molecular Weight347.50 g/mol
Exact Mass347.25
IUPAC Name(2R)-N-(3-cyclopentyloxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCCOC2CCCC2)c1
InChIInChI=1S/C21H33NO3/c1-15(2)19-11-10-16(3)14-20(19)25-17(4)21(23)22-12-7-13-24-18-8-5-6-9-18/h10-11,14-15,17-18H,5-9,12-13H2,1-4H3,(H,22,23)/t17-/m1/s1
InChIKeyGWGICPPIZMYFNN-QGZVFWFLSA-N
XLogP4.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 94180255
N-[2-(4-methylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133265071
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide
CID 78946961
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide
CID 63650006
2-(5-methyl-2-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513815
2-(5-methyl-2-propan-2-ylphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide
CID 133202318
N-[2-(4-methoxyphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133234660
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one
CID 119664096
2-(2,5-dimethylphenoxy)-N-[6-[2-(2,5-dimethylphenoxy)propanoylamino]hexyl]propanamide
CID 4945104
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one;hydrochloride
CID 119664095
2-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-ynylpropanamide
CID 134038041
N-[2-(4-tert-butylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133185590

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-cyclopentyloxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The IUPAC name of (2R)-N-(3-cyclopentyloxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (CID 100667207) is (2R)-N-(3-cyclopentyloxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(3-cyclopentyloxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(3-cyclopentyloxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCCOC2CCCC2)c1.
What is the InChIKey of (2R)-N-(3-cyclopentyloxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The InChIKey is GWGICPPIZMYFNN-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H33NO3/c1-15(2)19-11-10-16(3)14-20(19)25-17(4)21(23)22-12-7-13-24-18-8-5-6-9-18/h10-11,14-15,17-18H,5-9,12-13H2,1-4H3,(H,22,23)/t17-/m1/s1.
What are the key properties of (2R)-N-(3-cyclopentyloxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
(2R)-N-(3-cyclopentyloxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide has a molecular weight of 347.50 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-cyclopentyloxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 100667207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).