2-(N-acetylanilino)-N-cyclohexyl-3-methylselanylpropanamide

C18H26N2O2Se — CID 11531029

IUPAC2-(N-acetylanilino)-N-cyclohexyl-3-methylselanylpropanamide
SMILESC[Se]CC(C(=O)NC1CCCCC1)N(C(C)=O)c1ccccc1
InChIInChI=1S/C18H26N2O2Se/c1-14(21)20(16-11-7-4-8-12-16)17(13-23-2)18(22)19-15-9-5-3-6-10-15/h4,7-8,11-12,15,17H,3,5-6,9-10,13H2,1-2H3,(H,19,22)
InChIKeyPAIZOYVQZUUNKC-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.03
Rot. Bonds6

About 2-(N-acetylanilino)-N-cyclohexyl-3-methylselanylpropanamide

2-(N-acetylanilino)-N-cyclohexyl-3-methylselanylpropanamide (PubChem CID 11531029) has the molecular formula C18H26N2O2Se and a molecular weight of 381.38 g/mol. Its IUPAC name is 2-(N-acetylanilino)-N-cyclohexyl-3-methylselanylpropanamide.

Molecular Properties

Compound Name2-(N-acetylanilino)-N-cyclohexyl-3-methylselanylpropanamide
PubChem CID11531029
Molecular FormulaC18H26N2O2Se
Molecular Weight381.38 g/mol
Exact Mass382.12
IUPAC Name2-(N-acetylanilino)-N-cyclohexyl-3-methylselanylpropanamide
SMILESC[Se]CC(C(=O)NC1CCCCC1)N(C(C)=O)c1ccccc1
InChIInChI=1S/C18H26N2O2Se/c1-14(21)20(16-11-7-4-8-12-16)17(13-23-2)18(22)19-15-9-5-3-6-10-15/h4,7-8,11-12,15,17H,3,5-6,9-10,13H2,1-2H3,(H,19,22)
InChIKeyPAIZOYVQZUUNKC-UHFFFAOYSA-N
XLogP3.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 113123341
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(2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide
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N-[(1S)-1-cyclopropylethyl]-N-phenylacetamide
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4-amino-3-N-cyclohexyl-5-N-[(2R)-1-(cyclopentylamino)-1-oxobutan-2-yl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide
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CID 602977

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetylanilino)-N-cyclohexyl-3-methylselanylpropanamide?
The IUPAC name of 2-(N-acetylanilino)-N-cyclohexyl-3-methylselanylpropanamide (CID 11531029) is 2-(N-acetylanilino)-N-cyclohexyl-3-methylselanylpropanamide.
What is the SMILES notation for 2-(N-acetylanilino)-N-cyclohexyl-3-methylselanylpropanamide?
The canonical SMILES for 2-(N-acetylanilino)-N-cyclohexyl-3-methylselanylpropanamide is C[Se]CC(C(=O)NC1CCCCC1)N(C(C)=O)c1ccccc1.
What is the InChIKey of 2-(N-acetylanilino)-N-cyclohexyl-3-methylselanylpropanamide?
The InChIKey is PAIZOYVQZUUNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2Se/c1-14(21)20(16-11-7-4-8-12-16)17(13-23-2)18(22)19-15-9-5-3-6-10-15/h4,7-8,11-12,15,17H,3,5-6,9-10,13H2,1-2H3,(H,19,22).
What are the key properties of 2-(N-acetylanilino)-N-cyclohexyl-3-methylselanylpropanamide?
2-(N-acetylanilino)-N-cyclohexyl-3-methylselanylpropanamide has a molecular weight of 381.38 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetylanilino)-N-cyclohexyl-3-methylselanylpropanamide is sourced from PubChem (CID 11531029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).