4-cyclohexyl-N-[(3S)-2-oxooxolan-3-yl]butanamide

C14H23NO3 — CID 25015292

IUPAC4-cyclohexyl-N-[(3S)-2-oxooxolan-3-yl]butanamide
SMILESO=C(CCCC1CCCCC1)N[C@H]1CCOC1=O
InChIInChI=1S/C14H23NO3/c16-13(15-12-9-10-18-14(12)17)8-4-7-11-5-2-1-3-6-11/h11-12H,1-10H2,(H,15,16)/t12-/m0/s1
InChIKeyKCJJPWZEQZNGKI-LBPRGKRZSA-N
MW253.34 g/mol
LogP2.17
Rot. Bonds5

About 4-cyclohexyl-N-[(3S)-2-oxooxolan-3-yl]butanamide

4-cyclohexyl-N-[(3S)-2-oxooxolan-3-yl]butanamide (PubChem CID 25015292) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-cyclohexyl-N-[(3S)-2-oxooxolan-3-yl]butanamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[(3S)-2-oxooxolan-3-yl]butanamide
PubChem CID25015292
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-cyclohexyl-N-[(3S)-2-oxooxolan-3-yl]butanamide
SMILESO=C(CCCC1CCCCC1)N[C@H]1CCOC1=O
InChIInChI=1S/C14H23NO3/c16-13(15-12-9-10-18-14(12)17)8-4-7-11-5-2-1-3-6-11/h11-12H,1-10H2,(H,15,16)/t12-/m0/s1
InChIKeyKCJJPWZEQZNGKI-LBPRGKRZSA-N
XLogP2.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-dodecanoyl-L-Homoserine lactone
CID 10221437
N-(2-Oxotetrahydrofuran-3-YL)octanamide
CID 6914579
N-((3S)-2-oxooxolan-3-yl)decanamide
CID 10131281
N-Heptanoylhomoserine lactone
CID 443437
N-nonanoyl-L-Homoserine lactone
CID 56662027
N-Decanoyl-DL-homoserine lactone
CID 11644562
N-Octanoyl-DL-homoserine lactone
CID 3474204
N-hexadecanoyl-L-Homoserine lactone
CID 11609787
N-octadecanoyl-L-Homoserine lactone
CID 69757690
N-Heptanoyl-DL-homoserine lactone
CID 5057188
N-Dodecanoyl-DL-homoserine lactone
CID 11565426
(S)-N-tetradecanoyl-HSL
CID 58122267

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[(3S)-2-oxooxolan-3-yl]butanamide?
The IUPAC name of 4-cyclohexyl-N-[(3S)-2-oxooxolan-3-yl]butanamide (CID 25015292) is 4-cyclohexyl-N-[(3S)-2-oxooxolan-3-yl]butanamide.
What is the SMILES notation for 4-cyclohexyl-N-[(3S)-2-oxooxolan-3-yl]butanamide?
The canonical SMILES for 4-cyclohexyl-N-[(3S)-2-oxooxolan-3-yl]butanamide is O=C(CCCC1CCCCC1)N[C@H]1CCOC1=O.
What is the InChIKey of 4-cyclohexyl-N-[(3S)-2-oxooxolan-3-yl]butanamide?
The InChIKey is KCJJPWZEQZNGKI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23NO3/c16-13(15-12-9-10-18-14(12)17)8-4-7-11-5-2-1-3-6-11/h11-12H,1-10H2,(H,15,16)/t12-/m0/s1.
What are the key properties of 4-cyclohexyl-N-[(3S)-2-oxooxolan-3-yl]butanamide?
4-cyclohexyl-N-[(3S)-2-oxooxolan-3-yl]butanamide has a molecular weight of 253.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[(3S)-2-oxooxolan-3-yl]butanamide is sourced from PubChem (CID 25015292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).