N-tert-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)propanamide

C16H27NO — CID 76599921

IUPACN-tert-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)propanamide
SMILESCCC(=O)N(CC=CC1CC=CCC1)C(C)(C)C
InChIInChI=1S/C16H27NO/c1-5-15(18)17(16(2,3)4)13-9-12-14-10-7-6-8-11-14/h6-7,9,12,14H,5,8,10-11,13H2,1-4H3
InChIKeyBJFBYOYXMFACLW-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.94
Rot. Bonds4

About N-tert-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)propanamide

N-tert-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)propanamide (PubChem CID 76599921) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-tert-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)propanamide.

Molecular Properties

Compound NameN-tert-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)propanamide
PubChem CID76599921
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-tert-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)propanamide
SMILESCCC(=O)N(CC=CC1CC=CCC1)C(C)(C)C
InChIInChI=1S/C16H27NO/c1-5-15(18)17(16(2,3)4)13-9-12-14-10-7-6-8-11-14/h6-7,9,12,14H,5,8,10-11,13H2,1-4H3
InChIKeyBJFBYOYXMFACLW-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.94
H-Bond Donors ≤ 50
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-N-(3-cyclohex-3-en-1-ylprop-2-enyl)propanamide?
The IUPAC name of N-tert-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)propanamide (CID 76599921) is N-tert-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)propanamide.
What is the SMILES notation for N-tert-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)propanamide?
The canonical SMILES for N-tert-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)propanamide is CCC(=O)N(CC=CC1CC=CCC1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)propanamide?
The InChIKey is BJFBYOYXMFACLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-15(18)17(16(2,3)4)13-9-12-14-10-7-6-8-11-14/h6-7,9,12,14H,5,8,10-11,13H2,1-4H3.
What are the key properties of N-tert-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)propanamide?
N-tert-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)propanamide has a molecular weight of 249.40 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(3-cyclohex-3-en-1-ylprop-2-enyl)propanamide is sourced from PubChem (CID 76599921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).