N-[(1S)-1-(2-ethenylphenyl)ethyl]acetamide

C12H15NO — CID 118318081

IUPACN-[(1S)-1-(2-ethenylphenyl)ethyl]acetamide
SMILESC=Cc1ccccc1[C@H](C)NC(C)=O
InChIInChI=1S/C12H15NO/c1-4-11-7-5-6-8-12(11)9(2)13-10(3)14/h4-9H,1H2,2-3H3,(H,13,14)/t9-/m0/s1
InChIKeyJSOLAHKDKGCLPV-VIFPVBQESA-N
MW189.26 g/mol
LogP2.53
Rot. Bonds3

About N-[(1S)-1-(2-ethenylphenyl)ethyl]acetamide

N-[(1S)-1-(2-ethenylphenyl)ethyl]acetamide (PubChem CID 118318081) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is N-[(1S)-1-(2-ethenylphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-ethenylphenyl)ethyl]acetamide
PubChem CID118318081
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC NameN-[(1S)-1-(2-ethenylphenyl)ethyl]acetamide
SMILESC=Cc1ccccc1[C@H](C)NC(C)=O
InChIInChI=1S/C12H15NO/c1-4-11-7-5-6-8-12(11)9(2)13-10(3)14/h4-9H,1H2,2-3H3,(H,13,14)/t9-/m0/s1
InChIKeyJSOLAHKDKGCLPV-VIFPVBQESA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 22186241
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4-(2-ethenylphenyl)-3,4-dihydroxybutanoic acid
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N-[(1R)-1-(2-methylphenyl)ethyl]prop-2-enamide
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N-[1-(2-ethenylphenyl)ethyl]dodecan-1-amine
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[2-chloro-1-(2-ethenylphenyl)ethyl] acetate
CID 10704383
N-[1-(2-iodo-3-pyridinyl)ethyl]acetamide
CID 87649733
1-(2-chloropentan-3-yl)-2-ethenylbenzene
CID 139903375
N-[(1S)-1-quinolin-4-ylethyl]acetamide
CID 101472715
N-[1-(2-methoxyphenyl)ethyl]-3-methylbut-2-enamide
CID 47101319
1-ethenyl-2-pentan-3-ylbenzene
CID 20542388

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-ethenylphenyl)ethyl]acetamide?
The IUPAC name of N-[(1S)-1-(2-ethenylphenyl)ethyl]acetamide (CID 118318081) is N-[(1S)-1-(2-ethenylphenyl)ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-(2-ethenylphenyl)ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-(2-ethenylphenyl)ethyl]acetamide is C=Cc1ccccc1[C@H](C)NC(C)=O.
What is the InChIKey of N-[(1S)-1-(2-ethenylphenyl)ethyl]acetamide?
The InChIKey is JSOLAHKDKGCLPV-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15NO/c1-4-11-7-5-6-8-12(11)9(2)13-10(3)14/h4-9H,1H2,2-3H3,(H,13,14)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(2-ethenylphenyl)ethyl]acetamide?
N-[(1S)-1-(2-ethenylphenyl)ethyl]acetamide has a molecular weight of 189.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-ethenylphenyl)ethyl]acetamide is sourced from PubChem (CID 118318081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).