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

C18H27NO2 — CID 11358226

IUPAC(2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxan-4-yl)propanamide
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)NC2CCOCC2)cc1
InChIInChI=1S/C18H27NO2/c1-13(2)12-15-4-6-16(7-5-15)14(3)18(20)19-17-8-10-21-11-9-17/h4-7,13-14,17H,8-12H2,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyOTZWMOREOZAUGW-CQSZACIVSA-N
MW289.42 g/mol
LogP3.28
Rot. Bonds5

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

(2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxan-4-yl)propanamide (PubChem CID 11358226) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxan-4-yl)propanamide
PubChem CID11358226
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxan-4-yl)propanamide
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)NC2CCOCC2)cc1
InChIInChI=1S/C18H27NO2/c1-13(2)12-15-4-6-16(7-5-15)14(3)18(20)19-17-8-10-21-11-9-17/h4-7,13-14,17H,8-12H2,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyOTZWMOREOZAUGW-CQSZACIVSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.28
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-(oxan-4-yl)propanamide?
The IUPAC name of (2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxan-4-yl)propanamide (CID 11358226) is (2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxan-4-yl)propanamide.
What is the SMILES notation for (2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxan-4-yl)propanamide?
The canonical SMILES for (2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxan-4-yl)propanamide is CC(C)Cc1ccc([C@@H](C)C(=O)NC2CCOCC2)cc1.
What is the InChIKey of (2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxan-4-yl)propanamide?
The InChIKey is OTZWMOREOZAUGW-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13(2)12-15-4-6-16(7-5-15)14(3)18(20)19-17-8-10-21-11-9-17/h4-7,13-14,17H,8-12H2,1-3H3,(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxan-4-yl)propanamide?
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxan-4-yl)propanamide has a molecular weight of 289.42 g/mol, XLogP of 3.28, 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-(oxan-4-yl)propanamide is sourced from PubChem (CID 11358226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).