N-(1-phenylselanylundecyl)acetamide

C19H31NOSe — CID 139264956

IUPACN-(1-phenylselanylundecyl)acetamide
SMILESCCCCCCCCCCC(NC(C)=O)[Se]c1ccccc1
InChIInChI=1S/C19H31NOSe/c1-3-4-5-6-7-8-9-13-16-19(20-17(2)21)22-18-14-11-10-12-15-18/h10-12,14-15,19H,3-9,13,16H2,1-2H3,(H,20,21)
InChIKeyTYGDENGNUXEXPX-UHFFFAOYSA-N
MW368.42 g/mol
LogP4.01
Rot. Bonds12

About N-(1-phenylselanylundecyl)acetamide

N-(1-phenylselanylundecyl)acetamide (PubChem CID 139264956) has the molecular formula C19H31NOSe and a molecular weight of 368.42 g/mol. Its IUPAC name is N-(1-phenylselanylundecyl)acetamide.

Molecular Properties

Compound NameN-(1-phenylselanylundecyl)acetamide
PubChem CID139264956
Molecular FormulaC19H31NOSe
Molecular Weight368.42 g/mol
Exact Mass369.16
IUPAC NameN-(1-phenylselanylundecyl)acetamide
SMILESCCCCCCCCCCC(NC(C)=O)[Se]c1ccccc1
InChIInChI=1S/C19H31NOSe/c1-3-4-5-6-7-8-9-13-16-19(20-17(2)21)22-18-14-11-10-12-15-18/h10-12,14-15,19H,3-9,13,16H2,1-2H3,(H,20,21)
InChIKeyTYGDENGNUXEXPX-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 54.01
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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Related Compounds

N-(2-phenylethyl)acetamide
CID 70143
N-(1-Methyl-3-phenylpropyl)acetamide
CID 541808
N-(2-Phenylethyl)propanamide
CID 94894
N-(2-Phenylethyl)-isobutyramide
CID 290550
2-methyl-N-(3-phenylpropyl)propanamide
CID 2906692
3-methyl-N-(2-phenylethyl)-2-butenamide
CID 731815
n-(2-Phenylethyl)butanamide
CID 221995
2-methyl-N-(2-phenylethyl)butanamide
CID 2905151
3-Methyl-n-(2-phenylethyl)butanamide
CID 3551002
(2E,4E)-N-(2-phenylethyl)deca-2,4-dienamide
CID 14015869
N-phenylethylpivalamide
CID 546250
3-methyl-N-(4-phenylbutyl)butanamide
CID 2165512

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylselanylundecyl)acetamide?
The IUPAC name of N-(1-phenylselanylundecyl)acetamide (CID 139264956) is N-(1-phenylselanylundecyl)acetamide.
What is the SMILES notation for N-(1-phenylselanylundecyl)acetamide?
The canonical SMILES for N-(1-phenylselanylundecyl)acetamide is CCCCCCCCCCC(NC(C)=O)[Se]c1ccccc1.
What is the InChIKey of N-(1-phenylselanylundecyl)acetamide?
The InChIKey is TYGDENGNUXEXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NOSe/c1-3-4-5-6-7-8-9-13-16-19(20-17(2)21)22-18-14-11-10-12-15-18/h10-12,14-15,19H,3-9,13,16H2,1-2H3,(H,20,21).
What are the key properties of N-(1-phenylselanylundecyl)acetamide?
N-(1-phenylselanylundecyl)acetamide has a molecular weight of 368.42 g/mol, XLogP of 4.01, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylselanylundecyl)acetamide is sourced from PubChem (CID 139264956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).