(E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide

C16H29NO — CID 20790219

IUPAC(E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide
SMILESC/C=C/CC(CC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H29NO/c1-5-6-11-14(12-13-9-7-8-10-13)15(18)17-16(2,3)4/h5-6,13-14H,7-12H2,1-4H3,(H,17,18)/b6-5+
InChIKeyZASXJFZRYJAGSJ-AATRIKPKSA-N
MW251.41 g/mol
LogP4.06
Rot. Bonds5

About (E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide

(E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide (PubChem CID 20790219) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is (E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide
PubChem CID20790219
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name(E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide
SMILESC/C=C/CC(CC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H29NO/c1-5-6-11-14(12-13-9-7-8-10-13)15(18)17-16(2,3)4/h5-6,13-14H,7-12H2,1-4H3,(H,17,18)/b6-5+
InChIKeyZASXJFZRYJAGSJ-AATRIKPKSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.06
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 (E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide?
The IUPAC name of (E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide (CID 20790219) is (E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide.
What is the SMILES notation for (E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide?
The canonical SMILES for (E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide is C/C=C/CC(CC1CCCC1)C(=O)NC(C)(C)C.
What is the InChIKey of (E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide?
The InChIKey is ZASXJFZRYJAGSJ-AATRIKPKSA-N. The full InChI is InChI=1S/C16H29NO/c1-5-6-11-14(12-13-9-7-8-10-13)15(18)17-16(2,3)4/h5-6,13-14H,7-12H2,1-4H3,(H,17,18)/b6-5+.
What are the key properties of (E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide?
(E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide has a molecular weight of 251.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-2-(cyclopentylmethyl)hex-4-enamide is sourced from PubChem (CID 20790219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).