(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen

C15H25NO — CID 166540473

IUPAC(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen
SMILESCCNC(=O)[C@H](C)c1ccc(CC(C)C)cc1.[H][H]
InChIInChI=1S/C15H23NO.H2/c1-5-16-15(17)12(4)14-8-6-13(7-9-14)10-11(2)3;/h6-9,11-12H,5,10H2,1-4H3,(H,16,17);1H/t12-;/m1./s1
InChIKeyFIYFVKUKWCGBFE-UTONKHPSSA-N
MW235.37 g/mol
LogP3.37
Rot. Bonds5

About (2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen

(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen (PubChem CID 166540473) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen.

Molecular Properties

Compound Name(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen
PubChem CID166540473
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen
SMILESCCNC(=O)[C@H](C)c1ccc(CC(C)C)cc1.[H][H]
InChIInChI=1S/C15H23NO.H2/c1-5-16-15(17)12(4)14-8-6-13(7-9-14)10-11(2)3;/h6-9,11-12H,5,10H2,1-4H3,(H,16,17);1H/t12-;/m1./s1
InChIKeyFIYFVKUKWCGBFE-UTONKHPSSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]propanoic acid
CID 85049753
2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid
CID 101407950
(2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11482780
N-(3,3-dimethylbutyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 118460057
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
N-butan-2-yl-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11841279
N-[(4-chlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 162646835
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide
CID 1228331
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
triethyl-[3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]propyl]azanium
CID 22218584
trimethyl-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]azanium
CID 10274425
2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-1-ylmethyl)propanamide
CID 10062669

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen?
The IUPAC name of (2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen (CID 166540473) is (2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen.
What is the SMILES notation for (2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen?
The canonical SMILES for (2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen is CCNC(=O)[C@H](C)c1ccc(CC(C)C)cc1.[H][H].
What is the InChIKey of (2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen?
The InChIKey is FIYFVKUKWCGBFE-UTONKHPSSA-N. The full InChI is InChI=1S/C15H23NO.H2/c1-5-16-15(17)12(4)14-8-6-13(7-9-14)10-11(2)3;/h6-9,11-12H,5,10H2,1-4H3,(H,16,17);1H/t12-;/m1./s1.
What are the key properties of (2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen?
(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen has a molecular weight of 235.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen is sourced from PubChem (CID 166540473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).