(2R,4S,5S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-methylhexanamide

C17H34N2O2 — CID 11289532

IUPAC(2R,4S,5S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-methylhexanamide
SMILESCCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C17H34N2O2/c1-3-4-10-19-17(21)13(2)11-16(20)15(18)12-14-8-6-5-7-9-14/h13-16,20H,3-12,18H2,1-2H3,(H,19,21)/t13-,15+,16+/m1/s1
InChIKeyIODQQCZNYSEROJ-KBMXLJTQSA-N
MW298.47 g/mol
LogP2.59
Rot. Bonds9

About (2R,4S,5S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-methylhexanamide

(2R,4S,5S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-methylhexanamide (PubChem CID 11289532) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is (2R,4S,5S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-methylhexanamide.

Molecular Properties

Compound Name(2R,4S,5S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-methylhexanamide
PubChem CID11289532
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name(2R,4S,5S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-methylhexanamide
SMILESCCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C17H34N2O2/c1-3-4-10-19-17(21)13(2)11-16(20)15(18)12-14-8-6-5-7-9-14/h13-16,20H,3-12,18H2,1-2H3,(H,19,21)/t13-,15+,16+/m1/s1
InChIKeyIODQQCZNYSEROJ-KBMXLJTQSA-N
XLogP2.59
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (2R,4S,5S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-methylhexanamide?
The IUPAC name of (2R,4S,5S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-methylhexanamide (CID 11289532) is (2R,4S,5S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-methylhexanamide.
What is the SMILES notation for (2R,4S,5S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-methylhexanamide?
The canonical SMILES for (2R,4S,5S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-methylhexanamide is CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC1CCCCC1.
What is the InChIKey of (2R,4S,5S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-methylhexanamide?
The InChIKey is IODQQCZNYSEROJ-KBMXLJTQSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-3-4-10-19-17(21)13(2)11-16(20)15(18)12-14-8-6-5-7-9-14/h13-16,20H,3-12,18H2,1-2H3,(H,19,21)/t13-,15+,16+/m1/s1.
What are the key properties of (2R,4S,5S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-methylhexanamide?
(2R,4S,5S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-methylhexanamide has a molecular weight of 298.47 g/mol, XLogP of 2.59, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-methylhexanamide is sourced from PubChem (CID 11289532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).