N-[(1S)-1-(4-butylselanylphenyl)ethyl]acetamide

C14H21NOSe — CID 46209707

IUPACN-[(1S)-1-(4-butylselanylphenyl)ethyl]acetamide
SMILESCCCC[Se]c1ccc([C@H](C)NC(C)=O)cc1
InChIInChI=1S/C14H21NOSe/c1-4-5-10-17-14-8-6-13(7-9-14)11(2)15-12(3)16/h6-9,11H,4-5,10H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyKNDQSPNAUZCZAP-NSHDSACASA-N
MW298.29 g/mol
LogP2.43
Rot. Bonds6

About N-[(1S)-1-(4-butylselanylphenyl)ethyl]acetamide

N-[(1S)-1-(4-butylselanylphenyl)ethyl]acetamide (PubChem CID 46209707) has the molecular formula C14H21NOSe and a molecular weight of 298.29 g/mol. Its IUPAC name is N-[(1S)-1-(4-butylselanylphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-butylselanylphenyl)ethyl]acetamide
PubChem CID46209707
Molecular FormulaC14H21NOSe
Molecular Weight298.29 g/mol
Exact Mass299.08
IUPAC NameN-[(1S)-1-(4-butylselanylphenyl)ethyl]acetamide
SMILESCCCC[Se]c1ccc([C@H](C)NC(C)=O)cc1
InChIInChI=1S/C14H21NOSe/c1-4-5-10-17-14-8-6-13(7-9-14)11(2)15-12(3)16/h6-9,11H,4-5,10H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyKNDQSPNAUZCZAP-NSHDSACASA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-butylselanylphenyl)ethyl]acetamide?
The IUPAC name of N-[(1S)-1-(4-butylselanylphenyl)ethyl]acetamide (CID 46209707) is N-[(1S)-1-(4-butylselanylphenyl)ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-(4-butylselanylphenyl)ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-(4-butylselanylphenyl)ethyl]acetamide is CCCC[Se]c1ccc([C@H](C)NC(C)=O)cc1.
What is the InChIKey of N-[(1S)-1-(4-butylselanylphenyl)ethyl]acetamide?
The InChIKey is KNDQSPNAUZCZAP-NSHDSACASA-N. The full InChI is InChI=1S/C14H21NOSe/c1-4-5-10-17-14-8-6-13(7-9-14)11(2)15-12(3)16/h6-9,11H,4-5,10H2,1-3H3,(H,15,16)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(4-butylselanylphenyl)ethyl]acetamide?
N-[(1S)-1-(4-butylselanylphenyl)ethyl]acetamide has a molecular weight of 298.29 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-butylselanylphenyl)ethyl]acetamide is sourced from PubChem (CID 46209707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).