N-[3-(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-4-yl)propyl]acetamide

C16H26N2O — CID 50954112

IUPACN-[3-(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-4-yl)propyl]acetamide
SMILESCC(=O)NCCCC1=CCN(C2C=CCCC2)CC1
InChIInChI=1S/C16H26N2O/c1-14(19)17-11-5-6-15-9-12-18(13-10-15)16-7-3-2-4-8-16/h3,7,9,16H,2,4-6,8,10-13H2,1H3,(H,17,19)
InChIKeyFGQNJJYJQGCYCL-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.64
Rot. Bonds5

About N-[3-(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-4-yl)propyl]acetamide

N-[3-(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-4-yl)propyl]acetamide (PubChem CID 50954112) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[3-(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-4-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-4-yl)propyl]acetamide
PubChem CID50954112
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[3-(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-4-yl)propyl]acetamide
SMILESCC(=O)NCCCC1=CCN(C2C=CCCC2)CC1
InChIInChI=1S/C16H26N2O/c1-14(19)17-11-5-6-15-9-12-18(13-10-15)16-7-3-2-4-8-16/h3,7,9,16H,2,4-6,8,10-13H2,1H3,(H,17,19)
InChIKeyFGQNJJYJQGCYCL-UHFFFAOYSA-N
XLogP2.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[3-(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-4-yl)propyl]acetamide?
The IUPAC name of N-[3-(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-4-yl)propyl]acetamide (CID 50954112) is N-[3-(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-4-yl)propyl]acetamide.
What is the SMILES notation for N-[3-(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-4-yl)propyl]acetamide?
The canonical SMILES for N-[3-(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-4-yl)propyl]acetamide is CC(=O)NCCCC1=CCN(C2C=CCCC2)CC1.
What is the InChIKey of N-[3-(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-4-yl)propyl]acetamide?
The InChIKey is FGQNJJYJQGCYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14(19)17-11-5-6-15-9-12-18(13-10-15)16-7-3-2-4-8-16/h3,7,9,16H,2,4-6,8,10-13H2,1H3,(H,17,19).
What are the key properties of N-[3-(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-4-yl)propyl]acetamide?
N-[3-(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-4-yl)propyl]acetamide has a molecular weight of 262.40 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclohex-2-en-1-yl-3,6-dihydro-2H-pyridin-4-yl)propyl]acetamide is sourced from PubChem (CID 50954112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).