N-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-yloxypropanamide

C14H25NO2 — CID 86929298

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H25NO2/c1-12(2)17-11-9-14(16)15-10-8-13-6-4-3-5-7-13/h6,12H,3-5,7-11H2,1-2H3,(H,15,16)
InChIKeyXOEWSKOVUOPFHF-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.81
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-yloxypropanamide

N-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-yloxypropanamide (PubChem CID 86929298) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-yloxypropanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-yloxypropanamide
PubChem CID86929298
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H25NO2/c1-12(2)17-11-9-14(16)15-10-8-13-6-4-3-5-7-13/h6,12H,3-5,7-11H2,1-2H3,(H,15,16)
InChIKeyXOEWSKOVUOPFHF-UHFFFAOYSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-yloxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 3420120
3-methoxy-N-[(2R)-6-methylhept-5-en-2-yl]propanamide
CID 53496022
N-[2-(cyclohexen-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 133832709
N-[2-(cyclohex-1-en-1-yl)ethyl]-N'-[3-(propan-2-yloxy)propyl]butanediamide
CID 3385343
N'-[2-(cyclohexen-1-yl)ethyl]-N-(3-ethoxypropyl)oxamide
CID 45584866
N-[2-(cyclohexen-1-yl)ethyl]-2-propan-2-yloxyacetamide
CID 48130901
N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-4-yloxypropanamide
CID 63876296
N-[2-(cyclohexen-1-yl)ethyl]-2-morpholin-2-ylacetamide
CID 66434162
N-[2-(cyclopenten-1-yl)ethyl]-3-piperidin-4-yloxypropanamide
CID 106175389
4-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-methoxybutanamide
CID 106175478
3-propoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
CID 107486796
3-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]propanamide
CID 107487168

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-yloxypropanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-yloxypropanamide (CID 86929298) is N-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-yloxypropanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-yloxypropanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-yloxypropanamide is CC(C)OCCC(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-yloxypropanamide?
The InChIKey is XOEWSKOVUOPFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-12(2)17-11-9-14(16)15-10-8-13-6-4-3-5-7-13/h6,12H,3-5,7-11H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-yloxypropanamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-yloxypropanamide has a molecular weight of 239.36 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-propan-2-yloxypropanamide is sourced from PubChem (CID 86929298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).