N-(furan-3-ylmethyl)-N-(2-methoxyethyl)cyclohex-3-ene-1-carboxamide

C15H21NO3 — CID 71803992

IUPACN-(furan-3-ylmethyl)-N-(2-methoxyethyl)cyclohex-3-ene-1-carboxamide
SMILESCOCCN(Cc1ccoc1)C(=O)C1CC=CCC1
InChIInChI=1S/C15H21NO3/c1-18-10-8-16(11-13-7-9-19-12-13)15(17)14-5-3-2-4-6-14/h2-3,7,9,12,14H,4-6,8,10-11H2,1H3
InChIKeyWBLVULMPGALQCA-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.61
Rot. Bonds6

About N-(furan-3-ylmethyl)-N-(2-methoxyethyl)cyclohex-3-ene-1-carboxamide

N-(furan-3-ylmethyl)-N-(2-methoxyethyl)cyclohex-3-ene-1-carboxamide (PubChem CID 71803992) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N-(2-methoxyethyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N-(2-methoxyethyl)cyclohex-3-ene-1-carboxamide
PubChem CID71803992
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(furan-3-ylmethyl)-N-(2-methoxyethyl)cyclohex-3-ene-1-carboxamide
SMILESCOCCN(Cc1ccoc1)C(=O)C1CC=CCC1
InChIInChI=1S/C15H21NO3/c1-18-10-8-16(11-13-7-9-19-12-13)15(17)14-5-3-2-4-6-14/h2-3,7,9,12,14H,4-6,8,10-11H2,1H3
InChIKeyWBLVULMPGALQCA-UHFFFAOYSA-N
XLogP2.61
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(furan-3-ylmethyl)-N-(2-methoxyethyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(furan-3-ylmethyl)-N-(2-methoxyethyl)cyclohex-3-ene-1-carboxamide (CID 71803992) is N-(furan-3-ylmethyl)-N-(2-methoxyethyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-N-(2-methoxyethyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(furan-3-ylmethyl)-N-(2-methoxyethyl)cyclohex-3-ene-1-carboxamide is COCCN(Cc1ccoc1)C(=O)C1CC=CCC1.
What is the InChIKey of N-(furan-3-ylmethyl)-N-(2-methoxyethyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is WBLVULMPGALQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-10-8-16(11-13-7-9-19-12-13)15(17)14-5-3-2-4-6-14/h2-3,7,9,12,14H,4-6,8,10-11H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-N-(2-methoxyethyl)cyclohex-3-ene-1-carboxamide?
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N-(2-methoxyethyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 71803992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).