N-[4-(5-pentyloxan-2-yl)cyclohexyl]prop-2-enamide

C19H33NO2 — CID 134246396

IUPACN-[4-(5-pentyloxan-2-yl)cyclohexyl]prop-2-enamide
SMILESC=CC(=O)NC1CCC(C2CCC(CCCCC)CO2)CC1
InChIInChI=1S/C19H33NO2/c1-3-5-6-7-15-8-13-18(22-14-15)16-9-11-17(12-10-16)20-19(21)4-2/h4,15-18H,2-3,5-14H2,1H3,(H,20,21)
InChIKeyFKHGECUWGZLWEI-UHFFFAOYSA-N
MW307.48 g/mol
LogP4.22
Rot. Bonds7

About N-[4-(5-pentyloxan-2-yl)cyclohexyl]prop-2-enamide

N-[4-(5-pentyloxan-2-yl)cyclohexyl]prop-2-enamide (PubChem CID 134246396) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is N-[4-(5-pentyloxan-2-yl)cyclohexyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(5-pentyloxan-2-yl)cyclohexyl]prop-2-enamide
PubChem CID134246396
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC NameN-[4-(5-pentyloxan-2-yl)cyclohexyl]prop-2-enamide
SMILESC=CC(=O)NC1CCC(C2CCC(CCCCC)CO2)CC1
InChIInChI=1S/C19H33NO2/c1-3-5-6-7-15-8-13-18(22-14-15)16-9-11-17(12-10-16)20-19(21)4-2/h4,15-18H,2-3,5-14H2,1H3,(H,20,21)
InChIKeyFKHGECUWGZLWEI-UHFFFAOYSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-pentyloxan-2-yl)cyclohexyl]prop-2-enamide?
The IUPAC name of N-[4-(5-pentyloxan-2-yl)cyclohexyl]prop-2-enamide (CID 134246396) is N-[4-(5-pentyloxan-2-yl)cyclohexyl]prop-2-enamide.
What is the SMILES notation for N-[4-(5-pentyloxan-2-yl)cyclohexyl]prop-2-enamide?
The canonical SMILES for N-[4-(5-pentyloxan-2-yl)cyclohexyl]prop-2-enamide is C=CC(=O)NC1CCC(C2CCC(CCCCC)CO2)CC1.
What is the InChIKey of N-[4-(5-pentyloxan-2-yl)cyclohexyl]prop-2-enamide?
The InChIKey is FKHGECUWGZLWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2/c1-3-5-6-7-15-8-13-18(22-14-15)16-9-11-17(12-10-16)20-19(21)4-2/h4,15-18H,2-3,5-14H2,1H3,(H,20,21).
What are the key properties of N-[4-(5-pentyloxan-2-yl)cyclohexyl]prop-2-enamide?
N-[4-(5-pentyloxan-2-yl)cyclohexyl]prop-2-enamide has a molecular weight of 307.48 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-pentyloxan-2-yl)cyclohexyl]prop-2-enamide is sourced from PubChem (CID 134246396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).