N-tert-butyl-2-(2-cyclopentylethyl)-4-methylpent-4-enamide

C17H31NO — CID 20790177

IUPACN-tert-butyl-2-(2-cyclopentylethyl)-4-methylpent-4-enamide
SMILESC=C(C)CC(CCC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H31NO/c1-13(2)12-15(16(19)18-17(3,4)5)11-10-14-8-6-7-9-14/h14-15H,1,6-12H2,2-5H3,(H,18,19)
InChIKeyOLTYKXDIKVEYKM-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.45
Rot. Bonds6

About N-tert-butyl-2-(2-cyclopentylethyl)-4-methylpent-4-enamide

N-tert-butyl-2-(2-cyclopentylethyl)-4-methylpent-4-enamide (PubChem CID 20790177) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-tert-butyl-2-(2-cyclopentylethyl)-4-methylpent-4-enamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-cyclopentylethyl)-4-methylpent-4-enamide
PubChem CID20790177
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-tert-butyl-2-(2-cyclopentylethyl)-4-methylpent-4-enamide
SMILESC=C(C)CC(CCC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H31NO/c1-13(2)12-15(16(19)18-17(3,4)5)11-10-14-8-6-7-9-14/h14-15H,1,6-12H2,2-5H3,(H,18,19)
InChIKeyOLTYKXDIKVEYKM-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-cyclopentylethyl)-4-methylpent-4-enamide?
The IUPAC name of N-tert-butyl-2-(2-cyclopentylethyl)-4-methylpent-4-enamide (CID 20790177) is N-tert-butyl-2-(2-cyclopentylethyl)-4-methylpent-4-enamide.
What is the SMILES notation for N-tert-butyl-2-(2-cyclopentylethyl)-4-methylpent-4-enamide?
The canonical SMILES for N-tert-butyl-2-(2-cyclopentylethyl)-4-methylpent-4-enamide is C=C(C)CC(CCC1CCCC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2-cyclopentylethyl)-4-methylpent-4-enamide?
The InChIKey is OLTYKXDIKVEYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-13(2)12-15(16(19)18-17(3,4)5)11-10-14-8-6-7-9-14/h14-15H,1,6-12H2,2-5H3,(H,18,19).
What are the key properties of N-tert-butyl-2-(2-cyclopentylethyl)-4-methylpent-4-enamide?
N-tert-butyl-2-(2-cyclopentylethyl)-4-methylpent-4-enamide has a molecular weight of 265.44 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-cyclopentylethyl)-4-methylpent-4-enamide is sourced from PubChem (CID 20790177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).