N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide

C14H25NO2 — CID 20790197

IUPACN-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide
SMILESC=CCOC(CC1CCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H25NO2/c1-5-9-17-12(10-11-7-6-8-11)13(16)15-14(2,3)4/h5,11-12H,1,6-10H2,2-4H3,(H,15,16)
InChIKeyLUPJBVRJUMMDAV-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.66
Rot. Bonds6

About N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide

N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide (PubChem CID 20790197) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide.

Molecular Properties

Compound NameN-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide
PubChem CID20790197
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide
SMILESC=CCOC(CC1CCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H25NO2/c1-5-9-17-12(10-11-7-6-8-11)13(16)15-14(2,3)4/h5,11-12H,1,6-10H2,2-4H3,(H,15,16)
InChIKeyLUPJBVRJUMMDAV-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-3-cyclobutyl-2-prop-2-enoxypropanamide?
The IUPAC name of N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide (CID 20790197) is N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide.
What is the SMILES notation for N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide?
The canonical SMILES for N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide is C=CCOC(CC1CCC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide?
The InChIKey is LUPJBVRJUMMDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-5-9-17-12(10-11-7-6-8-11)13(16)15-14(2,3)4/h5,11-12H,1,6-10H2,2-4H3,(H,15,16).
What are the key properties of N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide?
N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide has a molecular weight of 239.36 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-cyclobutyl-2-prop-2-enoxypropanamide is sourced from PubChem (CID 20790197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).