4-cyclohexyl-N-[(4S)-4-hydroxyhexyl]butanamide

C16H31NO2 — CID 96521446

IUPAC4-cyclohexyl-N-[(4S)-4-hydroxyhexyl]butanamide
SMILESCC[C@H](O)CCCNC(=O)CCCC1CCCCC1
InChIInChI=1S/C16H31NO2/c1-2-15(18)11-7-13-17-16(19)12-6-10-14-8-4-3-5-9-14/h14-15,18H,2-13H2,1H3,(H,17,19)/t15-/m0/s1
InChIKeyWFBBGKPMXNXBFI-HNNXBMFYSA-N
MW269.43 g/mol
LogP3.40
Rot. Bonds9

About 4-cyclohexyl-N-[(4S)-4-hydroxyhexyl]butanamide

4-cyclohexyl-N-[(4S)-4-hydroxyhexyl]butanamide (PubChem CID 96521446) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-cyclohexyl-N-[(4S)-4-hydroxyhexyl]butanamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[(4S)-4-hydroxyhexyl]butanamide
PubChem CID96521446
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name4-cyclohexyl-N-[(4S)-4-hydroxyhexyl]butanamide
SMILESCC[C@H](O)CCCNC(=O)CCCC1CCCCC1
InChIInChI=1S/C16H31NO2/c1-2-15(18)11-7-13-17-16(19)12-6-10-14-8-4-3-5-9-14/h14-15,18H,2-13H2,1H3,(H,17,19)/t15-/m0/s1
InChIKeyWFBBGKPMXNXBFI-HNNXBMFYSA-N
XLogP3.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[(4S)-4-hydroxyhexyl]butanamide?
The IUPAC name of 4-cyclohexyl-N-[(4S)-4-hydroxyhexyl]butanamide (CID 96521446) is 4-cyclohexyl-N-[(4S)-4-hydroxyhexyl]butanamide.
What is the SMILES notation for 4-cyclohexyl-N-[(4S)-4-hydroxyhexyl]butanamide?
The canonical SMILES for 4-cyclohexyl-N-[(4S)-4-hydroxyhexyl]butanamide is CC[C@H](O)CCCNC(=O)CCCC1CCCCC1.
What is the InChIKey of 4-cyclohexyl-N-[(4S)-4-hydroxyhexyl]butanamide?
The InChIKey is WFBBGKPMXNXBFI-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-2-15(18)11-7-13-17-16(19)12-6-10-14-8-4-3-5-9-14/h14-15,18H,2-13H2,1H3,(H,17,19)/t15-/m0/s1.
What are the key properties of 4-cyclohexyl-N-[(4S)-4-hydroxyhexyl]butanamide?
4-cyclohexyl-N-[(4S)-4-hydroxyhexyl]butanamide has a molecular weight of 269.43 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[(4S)-4-hydroxyhexyl]butanamide is sourced from PubChem (CID 96521446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).