[1-cyclohexyl-3-(oxan-2-yloxy)-5-oxoheptan-2-yl]carbamic acid

C19H33NO5 — CID 19771554

IUPAC[1-cyclohexyl-3-(oxan-2-yloxy)-5-oxoheptan-2-yl]carbamic acid
SMILESCCC(=O)CC(OC1CCCCO1)C(CC1CCCCC1)NC(=O)O
InChIInChI=1S/C19H33NO5/c1-2-15(21)13-17(25-18-10-6-7-11-24-18)16(20-19(22)23)12-14-8-4-3-5-9-14/h14,16-18,20H,2-13H2,1H3,(H,22,23)
InChIKeySLUYRWVNOBSNMI-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.87
Rot. Bonds9

About [1-cyclohexyl-3-(oxan-2-yloxy)-5-oxoheptan-2-yl]carbamic acid

[1-cyclohexyl-3-(oxan-2-yloxy)-5-oxoheptan-2-yl]carbamic acid (PubChem CID 19771554) has the molecular formula C19H33NO5 and a molecular weight of 355.48 g/mol. Its IUPAC name is [1-cyclohexyl-3-(oxan-2-yloxy)-5-oxoheptan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-cyclohexyl-3-(oxan-2-yloxy)-5-oxoheptan-2-yl]carbamic acid
PubChem CID19771554
Molecular FormulaC19H33NO5
Molecular Weight355.48 g/mol
Exact Mass355.24
IUPAC Name[1-cyclohexyl-3-(oxan-2-yloxy)-5-oxoheptan-2-yl]carbamic acid
SMILESCCC(=O)CC(OC1CCCCO1)C(CC1CCCCC1)NC(=O)O
InChIInChI=1S/C19H33NO5/c1-2-15(21)13-17(25-18-10-6-7-11-24-18)16(20-19(22)23)12-14-8-4-3-5-9-14/h14,16-18,20H,2-13H2,1H3,(H,22,23)
InChIKeySLUYRWVNOBSNMI-UHFFFAOYSA-N
XLogP3.87
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-cyclohexyl-3-(oxan-2-yloxy)-5-oxoheptan-2-yl]carbamic acid?
The IUPAC name of [1-cyclohexyl-3-(oxan-2-yloxy)-5-oxoheptan-2-yl]carbamic acid (CID 19771554) is [1-cyclohexyl-3-(oxan-2-yloxy)-5-oxoheptan-2-yl]carbamic acid.
What is the SMILES notation for [1-cyclohexyl-3-(oxan-2-yloxy)-5-oxoheptan-2-yl]carbamic acid?
The canonical SMILES for [1-cyclohexyl-3-(oxan-2-yloxy)-5-oxoheptan-2-yl]carbamic acid is CCC(=O)CC(OC1CCCCO1)C(CC1CCCCC1)NC(=O)O.
What is the InChIKey of [1-cyclohexyl-3-(oxan-2-yloxy)-5-oxoheptan-2-yl]carbamic acid?
The InChIKey is SLUYRWVNOBSNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO5/c1-2-15(21)13-17(25-18-10-6-7-11-24-18)16(20-19(22)23)12-14-8-4-3-5-9-14/h14,16-18,20H,2-13H2,1H3,(H,22,23).
What are the key properties of [1-cyclohexyl-3-(oxan-2-yloxy)-5-oxoheptan-2-yl]carbamic acid?
[1-cyclohexyl-3-(oxan-2-yloxy)-5-oxoheptan-2-yl]carbamic acid has a molecular weight of 355.48 g/mol, XLogP of 3.87, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclohexyl-3-(oxan-2-yloxy)-5-oxoheptan-2-yl]carbamic acid is sourced from PubChem (CID 19771554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).