N-[2-(cyclohexen-1-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide

C15H26N2O2 — CID 66258081

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C15H26N2O2/c1-2-16-14-11-19-10-13(14)15(18)17-9-8-12-6-4-3-5-7-12/h6,13-14,16H,2-5,7-11H2,1H3,(H,17,18)
InChIKeyYOXJVKFPGDUNOZ-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.62
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide (PubChem CID 66258081) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide
PubChem CID66258081
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C15H26N2O2/c1-2-16-14-11-19-10-13(14)15(18)17-9-8-12-6-4-3-5-7-12/h6,13-14,16H,2-5,7-11H2,1H3,(H,17,18)
InChIKeyYOXJVKFPGDUNOZ-UHFFFAOYSA-N
XLogP1.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
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-[2-(cyclohexen-1-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide (CID 66258081) is N-[2-(cyclohexen-1-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide is CCNC1COCC1C(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide?
The InChIKey is YOXJVKFPGDUNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-16-14-11-19-10-13(14)15(18)17-9-8-12-6-4-3-5-7-12/h6,13-14,16H,2-5,7-11H2,1H3,(H,17,18).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66258081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).