(2R,4S,5S)-5-amino-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxy-N-methylhexanamide

C20H31ClN2O2 — CID 68900067

IUPAC(2R,4S,5S)-5-amino-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxy-N-methylhexanamide
SMILESCNC(=O)[C@H](CC1CCCCC1)C[C@H](O)[C@@H](N)Cc1ccc(Cl)cc1
InChIInChI=1S/C20H31ClN2O2/c1-23-20(25)16(11-14-5-3-2-4-6-14)13-19(24)18(22)12-15-7-9-17(21)10-8-15/h7-10,14,16,18-19,24H,2-6,11-13,22H2,1H3,(H,23,25)/t16-,18+,19+/m1/s1
InChIKeyLLVPRHBAGKOFPN-NEWSRXKRSA-N
MW366.93 g/mol
LogP3.29
Rot. Bonds8

About (2R,4S,5S)-5-amino-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxy-N-methylhexanamide

(2R,4S,5S)-5-amino-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxy-N-methylhexanamide (PubChem CID 68900067) has the molecular formula C20H31ClN2O2 and a molecular weight of 366.93 g/mol. Its IUPAC name is (2R,4S,5S)-5-amino-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxy-N-methylhexanamide.

Molecular Properties

Compound Name(2R,4S,5S)-5-amino-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxy-N-methylhexanamide
PubChem CID68900067
Molecular FormulaC20H31ClN2O2
Molecular Weight366.93 g/mol
Exact Mass366.21
IUPAC Name(2R,4S,5S)-5-amino-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxy-N-methylhexanamide
SMILESCNC(=O)[C@H](CC1CCCCC1)C[C@H](O)[C@@H](N)Cc1ccc(Cl)cc1
InChIInChI=1S/C20H31ClN2O2/c1-23-20(25)16(11-14-5-3-2-4-6-14)13-19(24)18(22)12-15-7-9-17(21)10-8-15/h7-10,14,16,18-19,24H,2-6,11-13,22H2,1H3,(H,23,25)/t16-,18+,19+/m1/s1
InChIKeyLLVPRHBAGKOFPN-NEWSRXKRSA-N
XLogP3.29
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.93
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-5-amino-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxy-N-methylhexanamide?
The IUPAC name of (2R,4S,5S)-5-amino-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxy-N-methylhexanamide (CID 68900067) is (2R,4S,5S)-5-amino-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxy-N-methylhexanamide.
What is the SMILES notation for (2R,4S,5S)-5-amino-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxy-N-methylhexanamide?
The canonical SMILES for (2R,4S,5S)-5-amino-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxy-N-methylhexanamide is CNC(=O)[C@H](CC1CCCCC1)C[C@H](O)[C@@H](N)Cc1ccc(Cl)cc1.
What is the InChIKey of (2R,4S,5S)-5-amino-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxy-N-methylhexanamide?
The InChIKey is LLVPRHBAGKOFPN-NEWSRXKRSA-N. The full InChI is InChI=1S/C20H31ClN2O2/c1-23-20(25)16(11-14-5-3-2-4-6-14)13-19(24)18(22)12-15-7-9-17(21)10-8-15/h7-10,14,16,18-19,24H,2-6,11-13,22H2,1H3,(H,23,25)/t16-,18+,19+/m1/s1.
What are the key properties of (2R,4S,5S)-5-amino-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxy-N-methylhexanamide?
(2R,4S,5S)-5-amino-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxy-N-methylhexanamide has a molecular weight of 366.93 g/mol, XLogP of 3.29, 8 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-6-(4-chlorophenyl)-2-(cyclohexylmethyl)-4-hydroxy-N-methylhexanamide is sourced from PubChem (CID 68900067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).