(2S)-N-(cyclohexylmethyl)-2-hydroxy-5-methylhexanamide

C14H27NO2 — CID 57011045

IUPAC(2S)-N-(cyclohexylmethyl)-2-hydroxy-5-methylhexanamide
SMILESCC(C)CC[C@H](O)C(=O)NCC1CCCCC1
InChIInChI=1S/C14H27NO2/c1-11(2)8-9-13(16)14(17)15-10-12-6-4-3-5-7-12/h11-13,16H,3-10H2,1-2H3,(H,15,17)/t13-/m0/s1
InChIKeyNDSFQHFJFHPYMY-ZDUSSCGKSA-N
MW241.37 g/mol
LogP2.48
Rot. Bonds6

About (2S)-N-(cyclohexylmethyl)-2-hydroxy-5-methylhexanamide

(2S)-N-(cyclohexylmethyl)-2-hydroxy-5-methylhexanamide (PubChem CID 57011045) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (2S)-N-(cyclohexylmethyl)-2-hydroxy-5-methylhexanamide.

Molecular Properties

Compound Name(2S)-N-(cyclohexylmethyl)-2-hydroxy-5-methylhexanamide
PubChem CID57011045
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(2S)-N-(cyclohexylmethyl)-2-hydroxy-5-methylhexanamide
SMILESCC(C)CC[C@H](O)C(=O)NCC1CCCCC1
InChIInChI=1S/C14H27NO2/c1-11(2)8-9-13(16)14(17)15-10-12-6-4-3-5-7-12/h11-13,16H,3-10H2,1-2H3,(H,15,17)/t13-/m0/s1
InChIKeyNDSFQHFJFHPYMY-ZDUSSCGKSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclohexylmethyl)-2-hydroxy-5-methylhexanamide?
The IUPAC name of (2S)-N-(cyclohexylmethyl)-2-hydroxy-5-methylhexanamide (CID 57011045) is (2S)-N-(cyclohexylmethyl)-2-hydroxy-5-methylhexanamide.
What is the SMILES notation for (2S)-N-(cyclohexylmethyl)-2-hydroxy-5-methylhexanamide?
The canonical SMILES for (2S)-N-(cyclohexylmethyl)-2-hydroxy-5-methylhexanamide is CC(C)CC[C@H](O)C(=O)NCC1CCCCC1.
What is the InChIKey of (2S)-N-(cyclohexylmethyl)-2-hydroxy-5-methylhexanamide?
The InChIKey is NDSFQHFJFHPYMY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2)8-9-13(16)14(17)15-10-12-6-4-3-5-7-12/h11-13,16H,3-10H2,1-2H3,(H,15,17)/t13-/m0/s1.
What are the key properties of (2S)-N-(cyclohexylmethyl)-2-hydroxy-5-methylhexanamide?
(2S)-N-(cyclohexylmethyl)-2-hydroxy-5-methylhexanamide has a molecular weight of 241.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclohexylmethyl)-2-hydroxy-5-methylhexanamide is sourced from PubChem (CID 57011045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).