4-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide

C15H27NO2 — CID 800412

IUPAC4-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide
SMILESO=C(CCCC1CCCCC1)NC[C@@H]1CCCO1
InChIInChI=1S/C15H27NO2/c17-15(16-12-14-9-5-11-18-14)10-4-8-13-6-2-1-3-7-13/h13-14H,1-12H2,(H,16,17)/t14-/m0/s1
InChIKeyZGFXBRGCTBNECB-AWEZNQCLSA-N
MW253.39 g/mol
LogP3.03
Rot. Bonds6

About 4-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide

4-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide (PubChem CID 800412) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide
PubChem CID800412
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name4-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide
SMILESO=C(CCCC1CCCCC1)NC[C@@H]1CCCO1
InChIInChI=1S/C15H27NO2/c17-15(16-12-14-9-5-11-18-14)10-4-8-13-6-2-1-3-7-13/h13-14H,1-12H2,(H,16,17)/t14-/m0/s1
InChIKeyZGFXBRGCTBNECB-AWEZNQCLSA-N
XLogP3.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide?
The IUPAC name of 4-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide (CID 800412) is 4-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide.
What is the SMILES notation for 4-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide?
The canonical SMILES for 4-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide is O=C(CCCC1CCCCC1)NC[C@@H]1CCCO1.
What is the InChIKey of 4-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide?
The InChIKey is ZGFXBRGCTBNECB-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H27NO2/c17-15(16-12-14-9-5-11-18-14)10-4-8-13-6-2-1-3-7-13/h13-14H,1-12H2,(H,16,17)/t14-/m0/s1.
What are the key properties of 4-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide?
4-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide has a molecular weight of 253.39 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]butanamide is sourced from PubChem (CID 800412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).