2-cyclohexyl-N-pent-4-ynylacetamide

C13H21NO — CID 103709024

IUPAC2-cyclohexyl-N-pent-4-ynylacetamide
SMILESC#CCCCNC(=O)CC1CCCCC1
InChIInChI=1S/C13H21NO/c1-2-3-7-10-14-13(15)11-12-8-5-4-6-9-12/h1,12H,3-11H2,(H,14,15)
InChIKeyDPPACEVPXDHDEP-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.49
Rot. Bonds5

About 2-cyclohexyl-N-pent-4-ynylacetamide

2-cyclohexyl-N-pent-4-ynylacetamide (PubChem CID 103709024) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-cyclohexyl-N-pent-4-ynylacetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-pent-4-ynylacetamide
PubChem CID103709024
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-cyclohexyl-N-pent-4-ynylacetamide
SMILESC#CCCCNC(=O)CC1CCCCC1
InChIInChI=1S/C13H21NO/c1-2-3-7-10-14-13(15)11-12-8-5-4-6-9-12/h1,12H,3-11H2,(H,14,15)
InChIKeyDPPACEVPXDHDEP-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-pent-4-ynylacetamide?
The IUPAC name of 2-cyclohexyl-N-pent-4-ynylacetamide (CID 103709024) is 2-cyclohexyl-N-pent-4-ynylacetamide.
What is the SMILES notation for 2-cyclohexyl-N-pent-4-ynylacetamide?
The canonical SMILES for 2-cyclohexyl-N-pent-4-ynylacetamide is C#CCCCNC(=O)CC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-pent-4-ynylacetamide?
The InChIKey is DPPACEVPXDHDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-3-7-10-14-13(15)11-12-8-5-4-6-9-12/h1,12H,3-11H2,(H,14,15).
What are the key properties of 2-cyclohexyl-N-pent-4-ynylacetamide?
2-cyclohexyl-N-pent-4-ynylacetamide has a molecular weight of 207.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-pent-4-ynylacetamide is sourced from PubChem (CID 103709024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).