N-(3-phenylselanylheptan-4-yl)acetamide

C15H23NOSe — CID 139264958

IUPACN-(3-phenylselanylheptan-4-yl)acetamide
SMILESCCCC(NC(C)=O)C(CC)[Se]c1ccccc1
InChIInChI=1S/C15H23NOSe/c1-4-9-14(16-12(3)17)15(5-2)18-13-10-7-6-8-11-13/h6-8,10-11,14-15H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyMSSBWPRTODVVGI-UHFFFAOYSA-N
MW312.31 g/mol
LogP2.52
Rot. Bonds7

About N-(3-phenylselanylheptan-4-yl)acetamide

N-(3-phenylselanylheptan-4-yl)acetamide (PubChem CID 139264958) has the molecular formula C15H23NOSe and a molecular weight of 312.31 g/mol. Its IUPAC name is N-(3-phenylselanylheptan-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-phenylselanylheptan-4-yl)acetamide
PubChem CID139264958
Molecular FormulaC15H23NOSe
Molecular Weight312.31 g/mol
Exact Mass313.09
IUPAC NameN-(3-phenylselanylheptan-4-yl)acetamide
SMILESCCCC(NC(C)=O)C(CC)[Se]c1ccccc1
InChIInChI=1S/C15H23NOSe/c1-4-9-14(16-12(3)17)15(5-2)18-13-10-7-6-8-11-13/h6-8,10-11,14-15H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyMSSBWPRTODVVGI-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Acetylamphetamine
CID 26660
N-(1-Methyl-3-phenylpropyl)acetamide
CID 541808
N-[benzylpropyl]propanamide
CID 2826980
Cambridge id 5100433
CID 778481
Acetamide, N-[1-(phenylmethyl)propyl]-
CID 2826983
N-(4-phenylbutan-2-yl)propanamide
CID 2931791
N-(4-Phenylbutyl)acetamide
CID 605592
(S)-N-(4-Phenylbutan-2-yl)acetamide
CID 6933208
(3S)-N,N-dimethyl-2-phenylselanyl-3-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 101988121
N-[(2R)-1-phenylpropan-2-yl]acetamide
CID 778483
N-((1S)-1-(Phenylmethyl)propyl)acetamide
CID 778651
N-[(2R)-1-phenylbutan-2-yl]acetamide
CID 778652

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylselanylheptan-4-yl)acetamide?
The IUPAC name of N-(3-phenylselanylheptan-4-yl)acetamide (CID 139264958) is N-(3-phenylselanylheptan-4-yl)acetamide.
What is the SMILES notation for N-(3-phenylselanylheptan-4-yl)acetamide?
The canonical SMILES for N-(3-phenylselanylheptan-4-yl)acetamide is CCCC(NC(C)=O)C(CC)[Se]c1ccccc1.
What is the InChIKey of N-(3-phenylselanylheptan-4-yl)acetamide?
The InChIKey is MSSBWPRTODVVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOSe/c1-4-9-14(16-12(3)17)15(5-2)18-13-10-7-6-8-11-13/h6-8,10-11,14-15H,4-5,9H2,1-3H3,(H,16,17).
What are the key properties of N-(3-phenylselanylheptan-4-yl)acetamide?
N-(3-phenylselanylheptan-4-yl)acetamide has a molecular weight of 312.31 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylselanylheptan-4-yl)acetamide is sourced from PubChem (CID 139264958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).