N-butyl-3-cyclohex-3-en-1-ylpropanamide

C13H23NO — CID 90151969

IUPACN-butyl-3-cyclohex-3-en-1-ylpropanamide
SMILESCCCCNC(=O)CCC1CC=CCC1
InChIInChI=1S/C13H23NO/c1-2-3-11-14-13(15)10-9-12-7-5-4-6-8-12/h4-5,12H,2-3,6-11H2,1H3,(H,14,15)
InChIKeyYCACJWUQFOJROO-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.04
Rot. Bonds6

About N-butyl-3-cyclohex-3-en-1-ylpropanamide

N-butyl-3-cyclohex-3-en-1-ylpropanamide (PubChem CID 90151969) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-butyl-3-cyclohex-3-en-1-ylpropanamide.

Molecular Properties

Compound NameN-butyl-3-cyclohex-3-en-1-ylpropanamide
PubChem CID90151969
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-butyl-3-cyclohex-3-en-1-ylpropanamide
SMILESCCCCNC(=O)CCC1CC=CCC1
InChIInChI=1S/C13H23NO/c1-2-3-11-14-13(15)10-9-12-7-5-4-6-8-12/h4-5,12H,2-3,6-11H2,1H3,(H,14,15)
InChIKeyYCACJWUQFOJROO-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-cyclohex-3-en-1-ylpropanamide?
The IUPAC name of N-butyl-3-cyclohex-3-en-1-ylpropanamide (CID 90151969) is N-butyl-3-cyclohex-3-en-1-ylpropanamide.
What is the SMILES notation for N-butyl-3-cyclohex-3-en-1-ylpropanamide?
The canonical SMILES for N-butyl-3-cyclohex-3-en-1-ylpropanamide is CCCCNC(=O)CCC1CC=CCC1.
What is the InChIKey of N-butyl-3-cyclohex-3-en-1-ylpropanamide?
The InChIKey is YCACJWUQFOJROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-3-11-14-13(15)10-9-12-7-5-4-6-8-12/h4-5,12H,2-3,6-11H2,1H3,(H,14,15).
What are the key properties of N-butyl-3-cyclohex-3-en-1-ylpropanamide?
N-butyl-3-cyclohex-3-en-1-ylpropanamide has a molecular weight of 209.33 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-cyclohex-3-en-1-ylpropanamide is sourced from PubChem (CID 90151969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).