[4-(oxolane-2-carbonylamino)cyclohexyl] oxolane-2-carboxylate

C16H25NO5 — CID 42956116

IUPAC[4-(oxolane-2-carbonylamino)cyclohexyl] oxolane-2-carboxylate
SMILESO=C(NC1CCC(OC(=O)C2CCCO2)CC1)C1CCCO1
InChIInChI=1S/C16H25NO5/c18-15(13-3-1-9-20-13)17-11-5-7-12(8-6-11)22-16(19)14-4-2-10-21-14/h11-14H,1-10H2,(H,17,18)
InChIKeyLHLONZHFHQRXDP-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.32
Rot. Bonds4

About [4-(oxolane-2-carbonylamino)cyclohexyl] oxolane-2-carboxylate

[4-(oxolane-2-carbonylamino)cyclohexyl] oxolane-2-carboxylate (PubChem CID 42956116) has the molecular formula C16H25NO5 and a molecular weight of 311.38 g/mol. Its IUPAC name is [4-(oxolane-2-carbonylamino)cyclohexyl] oxolane-2-carboxylate.

Molecular Properties

Compound Name[4-(oxolane-2-carbonylamino)cyclohexyl] oxolane-2-carboxylate
PubChem CID42956116
Molecular FormulaC16H25NO5
Molecular Weight311.38 g/mol
Exact Mass311.17
IUPAC Name[4-(oxolane-2-carbonylamino)cyclohexyl] oxolane-2-carboxylate
SMILESO=C(NC1CCC(OC(=O)C2CCCO2)CC1)C1CCCO1
InChIInChI=1S/C16H25NO5/c18-15(13-3-1-9-20-13)17-11-5-7-12(8-6-11)22-16(19)14-4-2-10-21-14/h11-14H,1-10H2,(H,17,18)
InChIKeyLHLONZHFHQRXDP-UHFFFAOYSA-N
XLogP1.32
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(oxolane-2-carbonylamino)cyclohexyl] oxolane-2-carboxylate?
The IUPAC name of [4-(oxolane-2-carbonylamino)cyclohexyl] oxolane-2-carboxylate (CID 42956116) is [4-(oxolane-2-carbonylamino)cyclohexyl] oxolane-2-carboxylate.
What is the SMILES notation for [4-(oxolane-2-carbonylamino)cyclohexyl] oxolane-2-carboxylate?
The canonical SMILES for [4-(oxolane-2-carbonylamino)cyclohexyl] oxolane-2-carboxylate is O=C(NC1CCC(OC(=O)C2CCCO2)CC1)C1CCCO1.
What is the InChIKey of [4-(oxolane-2-carbonylamino)cyclohexyl] oxolane-2-carboxylate?
The InChIKey is LHLONZHFHQRXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO5/c18-15(13-3-1-9-20-13)17-11-5-7-12(8-6-11)22-16(19)14-4-2-10-21-14/h11-14H,1-10H2,(H,17,18).
What are the key properties of [4-(oxolane-2-carbonylamino)cyclohexyl] oxolane-2-carboxylate?
[4-(oxolane-2-carbonylamino)cyclohexyl] oxolane-2-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxolane-2-carbonylamino)cyclohexyl] oxolane-2-carboxylate is sourced from PubChem (CID 42956116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).