oxolan-2-yl-(4-propan-2-ylazepan-1-yl)methanone

C14H25NO2 — CID 56790819

IUPACoxolan-2-yl-(4-propan-2-ylazepan-1-yl)methanone
SMILESCC(C)C1CCCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C14H25NO2/c1-11(2)12-5-3-8-15(9-7-12)14(16)13-6-4-10-17-13/h11-13H,3-10H2,1-2H3
InChIKeyYKLZPNIUYQIPBG-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.45
Rot. Bonds2

About oxolan-2-yl-(4-propan-2-ylazepan-1-yl)methanone

oxolan-2-yl-(4-propan-2-ylazepan-1-yl)methanone (PubChem CID 56790819) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is oxolan-2-yl-(4-propan-2-ylazepan-1-yl)methanone.

Molecular Properties

Compound Nameoxolan-2-yl-(4-propan-2-ylazepan-1-yl)methanone
PubChem CID56790819
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nameoxolan-2-yl-(4-propan-2-ylazepan-1-yl)methanone
SMILESCC(C)C1CCCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C14H25NO2/c1-11(2)12-5-3-8-15(9-7-12)14(16)13-6-4-10-17-13/h11-13H,3-10H2,1-2H3
InChIKeyYKLZPNIUYQIPBG-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-(4-propan-2-ylazepan-1-yl)methanone?
The IUPAC name of oxolan-2-yl-(4-propan-2-ylazepan-1-yl)methanone (CID 56790819) is oxolan-2-yl-(4-propan-2-ylazepan-1-yl)methanone.
What is the SMILES notation for oxolan-2-yl-(4-propan-2-ylazepan-1-yl)methanone?
The canonical SMILES for oxolan-2-yl-(4-propan-2-ylazepan-1-yl)methanone is CC(C)C1CCCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of oxolan-2-yl-(4-propan-2-ylazepan-1-yl)methanone?
The InChIKey is YKLZPNIUYQIPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(2)12-5-3-8-15(9-7-12)14(16)13-6-4-10-17-13/h11-13H,3-10H2,1-2H3.
What are the key properties of oxolan-2-yl-(4-propan-2-ylazepan-1-yl)methanone?
oxolan-2-yl-(4-propan-2-ylazepan-1-yl)methanone has a molecular weight of 239.36 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-(4-propan-2-ylazepan-1-yl)methanone is sourced from PubChem (CID 56790819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).