N-[(1R)-1-phenylbut-3-enyl]acetamide

C12H15NO — CID 40521523

IUPACN-[(1R)-1-phenylbut-3-enyl]acetamide
SMILESC=CC[C@@H](NC(C)=O)c1ccccc1
InChIInChI=1S/C12H15NO/c1-3-7-12(13-10(2)14)11-8-5-4-6-9-11/h3-6,8-9,12H,1,7H2,2H3,(H,13,14)/t12-/m1/s1
InChIKeyGLSHZYVOBOISIX-GFCCVEGCSA-N
MW189.26 g/mol
LogP2.44
Rot. Bonds4

About N-[(1R)-1-phenylbut-3-enyl]acetamide

N-[(1R)-1-phenylbut-3-enyl]acetamide (PubChem CID 40521523) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is N-[(1R)-1-phenylbut-3-enyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylbut-3-enyl]acetamide
PubChem CID40521523
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC NameN-[(1R)-1-phenylbut-3-enyl]acetamide
SMILESC=CC[C@@H](NC(C)=O)c1ccccc1
InChIInChI=1S/C12H15NO/c1-3-7-12(13-10(2)14)11-8-5-4-6-9-11/h3-6,8-9,12H,1,7H2,2H3,(H,13,14)/t12-/m1/s1
InChIKeyGLSHZYVOBOISIX-GFCCVEGCSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methyl-1-phenylbut-3-enyl)acetamide
CID 69439748
(3R)-3-phenyl-3-(prop-1-en-2-ylamino)propanal
CID 169128641
(3S)-3-acetamido-3-phenylpropanoate
CID 6935995
N-(4-oxo-1,4-diphenylbutyl)acetamide
CID 13252857
3-acetamido-3-(4-phenylphenyl)propanoic acid
CID 63649905
3-acetamido-N,N-diethyl-3-phenylpropanamide
CID 78777211
N-(1-phenyl-2-propylsulfanylethyl)acetamide
CID 141414603
N-[(1R)-1-(4-fluorophenyl)but-3-enyl]benzamide
CID 101454749
1-phenylbut-3-enylhydrazine
CID 105199312
(3S)-3-amino-4-oxo-4-[[(2S)-1-oxo-1-(1-phenylbut-3-enylamino)butan-2-yl]amino]butanoic acid
CID 67684684
CID 57067406
CID 57067406
N-(2-diethylphosphanyl-1-phenylethyl)acetamide
CID 175089746

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylbut-3-enyl]acetamide?
The IUPAC name of N-[(1R)-1-phenylbut-3-enyl]acetamide (CID 40521523) is N-[(1R)-1-phenylbut-3-enyl]acetamide.
What is the SMILES notation for N-[(1R)-1-phenylbut-3-enyl]acetamide?
The canonical SMILES for N-[(1R)-1-phenylbut-3-enyl]acetamide is C=CC[C@@H](NC(C)=O)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylbut-3-enyl]acetamide?
The InChIKey is GLSHZYVOBOISIX-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-7-12(13-10(2)14)11-8-5-4-6-9-11/h3-6,8-9,12H,1,7H2,2H3,(H,13,14)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-phenylbut-3-enyl]acetamide?
N-[(1R)-1-phenylbut-3-enyl]acetamide has a molecular weight of 189.26 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylbut-3-enyl]acetamide is sourced from PubChem (CID 40521523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).