N-(4-butylcyclohex-3-en-1-yl)propanamide

C13H23NO — CID 70892562

IUPACN-(4-butylcyclohex-3-en-1-yl)propanamide
SMILESCCCCC1=CCC(NC(=O)CC)CC1
InChIInChI=1S/C13H23NO/c1-3-5-6-11-7-9-12(10-8-11)14-13(15)4-2/h7,12H,3-6,8-10H2,1-2H3,(H,14,15)
InChIKeyGIFHSLZZGBUVBS-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.18
Rot. Bonds5

About N-(4-butylcyclohex-3-en-1-yl)propanamide

N-(4-butylcyclohex-3-en-1-yl)propanamide (PubChem CID 70892562) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-(4-butylcyclohex-3-en-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-butylcyclohex-3-en-1-yl)propanamide
PubChem CID70892562
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-(4-butylcyclohex-3-en-1-yl)propanamide
SMILESCCCCC1=CCC(NC(=O)CC)CC1
InChIInChI=1S/C13H23NO/c1-3-5-6-11-7-9-12(10-8-11)14-13(15)4-2/h7,12H,3-6,8-10H2,1-2H3,(H,14,15)
InChIKeyGIFHSLZZGBUVBS-UHFFFAOYSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.18
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-(4-butylcyclohex-3-en-1-yl)propanamide?
The IUPAC name of N-(4-butylcyclohex-3-en-1-yl)propanamide (CID 70892562) is N-(4-butylcyclohex-3-en-1-yl)propanamide.
What is the SMILES notation for N-(4-butylcyclohex-3-en-1-yl)propanamide?
The canonical SMILES for N-(4-butylcyclohex-3-en-1-yl)propanamide is CCCCC1=CCC(NC(=O)CC)CC1.
What is the InChIKey of N-(4-butylcyclohex-3-en-1-yl)propanamide?
The InChIKey is GIFHSLZZGBUVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-5-6-11-7-9-12(10-8-11)14-13(15)4-2/h7,12H,3-6,8-10H2,1-2H3,(H,14,15).
What are the key properties of N-(4-butylcyclohex-3-en-1-yl)propanamide?
N-(4-butylcyclohex-3-en-1-yl)propanamide has a molecular weight of 209.33 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylcyclohex-3-en-1-yl)propanamide is sourced from PubChem (CID 70892562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).