(2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxolan-3-yl)propanamide

C17H25NO2 — CID 11471362

IUPAC(2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxolan-3-yl)propanamide
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)NC2CCOC2)cc1
InChIInChI=1S/C17H25NO2/c1-12(2)10-14-4-6-15(7-5-14)13(3)17(19)18-16-8-9-20-11-16/h4-7,12-13,16H,8-11H2,1-3H3,(H,18,19)/t13-,16?/m1/s1
InChIKeyTYWHUAQSAJRIIY-JBZHPUCOSA-N
MW275.39 g/mol
LogP2.89
Rot. Bonds5

About (2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxolan-3-yl)propanamide

(2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxolan-3-yl)propanamide (PubChem CID 11471362) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxolan-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxolan-3-yl)propanamide
PubChem CID11471362
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxolan-3-yl)propanamide
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)NC2CCOC2)cc1
InChIInChI=1S/C17H25NO2/c1-12(2)10-14-4-6-15(7-5-14)13(3)17(19)18-16-8-9-20-11-16/h4-7,12-13,16H,8-11H2,1-3H3,(H,18,19)/t13-,16?/m1/s1
InChIKeyTYWHUAQSAJRIIY-JBZHPUCOSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxolan-3-yl)propanamide?
The IUPAC name of (2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxolan-3-yl)propanamide (CID 11471362) is (2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxolan-3-yl)propanamide.
What is the SMILES notation for (2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxolan-3-yl)propanamide?
The canonical SMILES for (2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxolan-3-yl)propanamide is CC(C)Cc1ccc([C@@H](C)C(=O)NC2CCOC2)cc1.
What is the InChIKey of (2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxolan-3-yl)propanamide?
The InChIKey is TYWHUAQSAJRIIY-JBZHPUCOSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(2)10-14-4-6-15(7-5-14)13(3)17(19)18-16-8-9-20-11-16/h4-7,12-13,16H,8-11H2,1-3H3,(H,18,19)/t13-,16?/m1/s1.
What are the key properties of (2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxolan-3-yl)propanamide?
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxolan-3-yl)propanamide has a molecular weight of 275.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxolan-3-yl)propanamide is sourced from PubChem (CID 11471362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).