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

C14H24N2O2 — CID 66267549

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H24N2O2/c1-15-13-10-18-9-12(13)14(17)16-8-7-11-5-3-2-4-6-11/h5,12-13,15H,2-4,6-10H2,1H3,(H,16,17)
InChIKeyOYOKHNIVEJVBSI-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.23
Rot. Bonds5

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

N-[2-(cyclohexen-1-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66267549) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide
PubChem CID66267549
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H24N2O2/c1-15-13-10-18-9-12(13)14(17)16-8-7-11-5-3-2-4-6-11/h5,12-13,15H,2-4,6-10H2,1H3,(H,16,17)
InChIKeyOYOKHNIVEJVBSI-UHFFFAOYSA-N
XLogP1.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132739
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130626
1-N-[2-(cyclohexen-1-yl)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109132801
(1R,6S)-6-[2-(cyclohexen-1-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 40532196
4-(methylamino)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide
CID 66265963
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144460
N-hexyl-4-(methylamino)oxolane-3-carboxamide
CID 66266175
N-[2-(cyclohexen-1-yl)ethyl]thiane-4-carboxamide
CID 110849147
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109132849
1-[2-(cyclohexen-1-yl)ethyl]-2-methylguanidine
CID 62359713
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
(1S,2R,3R,4S)-3-[2-(cyclohexen-1-yl)ethylcarbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98230838

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide (CID 66267549) is N-[2-(cyclohexen-1-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is OYOKHNIVEJVBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-15-13-10-18-9-12(13)14(17)16-8-7-11-5-3-2-4-6-11/h5,12-13,15H,2-4,6-10H2,1H3,(H,16,17).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.23, 5 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-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66267549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).