molecular hydrogen;(2S)-2-phenylpropanamide

C9H13NO — CID 143947719

IUPACmolecular hydrogen;(2S)-2-phenylpropanamide
SMILESC[C@H](C(N)=O)c1ccccc1.[H][H]
InChIInChI=1S/C9H11NO.H2/c1-7(9(10)11)8-5-3-2-4-6-8;/h2-7H,1H3,(H2,10,11);1H/t7-;/m0./s1
InChIKeyNEADIVASFPKDTE-FJXQXJEOSA-N
MW151.21 g/mol
LogP1.52
Rot. Bonds2

About molecular hydrogen;(2S)-2-phenylpropanamide

molecular hydrogen;(2S)-2-phenylpropanamide (PubChem CID 143947719) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is molecular hydrogen;(2S)-2-phenylpropanamide.

Molecular Properties

Compound Namemolecular hydrogen;(2S)-2-phenylpropanamide
PubChem CID143947719
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Namemolecular hydrogen;(2S)-2-phenylpropanamide
SMILESC[C@H](C(N)=O)c1ccccc1.[H][H]
InChIInChI=1S/C9H11NO.H2/c1-7(9(10)11)8-5-3-2-4-6-8;/h2-7H,1H3,(H2,10,11);1H/t7-;/m0./s1
InChIKeyNEADIVASFPKDTE-FJXQXJEOSA-N
XLogP1.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;dihydrochloride
CID 162109025
(3R)-2-methyl-3-phenylbutanamide
CID 140836270
2-[4-(2-methylphenyl)phenyl]propanamide
CID 155097671
(2R)-2-naphthalen-2-ylpropanamide
CID 101175106
(2S)-2-[4-(benzenesulfonamido)phenyl]propanamide
CID 23653372
bis(3-phenylbutan-2-one);2-phenylpropanoic acid
CID 143307414
azanium 2-phenylpropanoate
CID 146635852
bis(carbamothioic S-acid);cumene
CID 87644989
cesium 2-phenylpropanoate
CID 23721405
1,1-dimethoxy-3-phenylbutan-2-one
CID 141011761

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;(2S)-2-phenylpropanamide?
The IUPAC name of molecular hydrogen;(2S)-2-phenylpropanamide (CID 143947719) is molecular hydrogen;(2S)-2-phenylpropanamide.
What is the SMILES notation for molecular hydrogen;(2S)-2-phenylpropanamide?
The canonical SMILES for molecular hydrogen;(2S)-2-phenylpropanamide is C[C@H](C(N)=O)c1ccccc1.[H][H].
What is the InChIKey of molecular hydrogen;(2S)-2-phenylpropanamide?
The InChIKey is NEADIVASFPKDTE-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H11NO.H2/c1-7(9(10)11)8-5-3-2-4-6-8;/h2-7H,1H3,(H2,10,11);1H/t7-;/m0./s1.
What are the key properties of molecular hydrogen;(2S)-2-phenylpropanamide?
molecular hydrogen;(2S)-2-phenylpropanamide has a molecular weight of 151.21 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;(2S)-2-phenylpropanamide is sourced from PubChem (CID 143947719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).