N-[(1S)-1-phenyl-2-[(Z)-prop-1-enoxy]ethyl]acetamide

C13H17NO2 — CID 70953246

IUPACN-[(1S)-1-phenyl-2-[(Z)-prop-1-enoxy]ethyl]acetamide
SMILESC/C=C\OC[C@@H](NC(C)=O)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-3-9-16-10-13(14-11(2)15)12-7-5-4-6-8-12/h3-9,13H,10H2,1-2H3,(H,14,15)/b9-3-/t13-/m1/s1
InChIKeyMLKMKTMGSDSZFA-ZCMXANCESA-N
MW219.28 g/mol
LogP2.41
Rot. Bonds5

About N-[(1S)-1-phenyl-2-[(Z)-prop-1-enoxy]ethyl]acetamide

N-[(1S)-1-phenyl-2-[(Z)-prop-1-enoxy]ethyl]acetamide (PubChem CID 70953246) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[(1S)-1-phenyl-2-[(Z)-prop-1-enoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-phenyl-2-[(Z)-prop-1-enoxy]ethyl]acetamide
PubChem CID70953246
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[(1S)-1-phenyl-2-[(Z)-prop-1-enoxy]ethyl]acetamide
SMILESC/C=C\OC[C@@H](NC(C)=O)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-3-9-16-10-13(14-11(2)15)12-7-5-4-6-8-12/h3-9,13H,10H2,1-2H3,(H,14,15)/b9-3-/t13-/m1/s1
InChIKeyMLKMKTMGSDSZFA-ZCMXANCESA-N
XLogP2.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

CID 57067406
CID 57067406
N-(1-phenyl-2-phenylmethoxyethyl)acetamide
CID 75373023
N-[(1R)-1-phenylbut-3-enyl]acetamide
CID 40521523
N-(3-methyl-1-phenylbut-3-enyl)acetamide
CID 69439748
(3S)-3-acetamido-3-phenylpropanoate
CID 6935995
[(2R)-1-amino-1-oxopropan-2-yl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132707
(2-methoxy-1-phenylethyl)carbamic acid
CID 69063915
N-(2-diethylphosphanyl-1-phenylethyl)acetamide
CID 175089746
(3R)-3-acetamido-N-[(2R)-1-methoxypropan-2-yl]-3-phenylpropanamide
CID 94816352
benzhydryl 3-acetamido-3-(4-methylphenyl)propanoate
CID 55378852
N-(4-oxo-1,4-diphenylbutyl)acetamide
CID 13252857
ethyl 4-acetamido-4-phenylbutanoate
CID 132511328

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenyl-2-[(Z)-prop-1-enoxy]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-phenyl-2-[(Z)-prop-1-enoxy]ethyl]acetamide (CID 70953246) is N-[(1S)-1-phenyl-2-[(Z)-prop-1-enoxy]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-phenyl-2-[(Z)-prop-1-enoxy]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-phenyl-2-[(Z)-prop-1-enoxy]ethyl]acetamide is C/C=C\OC[C@@H](NC(C)=O)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenyl-2-[(Z)-prop-1-enoxy]ethyl]acetamide?
The InChIKey is MLKMKTMGSDSZFA-ZCMXANCESA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-9-16-10-13(14-11(2)15)12-7-5-4-6-8-12/h3-9,13H,10H2,1-2H3,(H,14,15)/b9-3-/t13-/m1/s1.
What are the key properties of N-[(1S)-1-phenyl-2-[(Z)-prop-1-enoxy]ethyl]acetamide?
N-[(1S)-1-phenyl-2-[(Z)-prop-1-enoxy]ethyl]acetamide has a molecular weight of 219.28 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenyl-2-[(Z)-prop-1-enoxy]ethyl]acetamide is sourced from PubChem (CID 70953246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).