(2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N,6-diphenylhexanamide

C19H24N2O2 — CID 68889008

IUPAC(2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N,6-diphenylhexanamide
SMILESC[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-14(19(23)21-16-10-6-3-7-11-16)12-18(22)17(20)13-15-8-4-2-5-9-15/h2-11,14,17-18,22H,12-13,20H2,1H3,(H,21,23)/t14-,17+,18+/m1/s1
InChIKeyJQBAFAGDAXVBSM-JLSDUUJJSA-N
MW312.41 g/mol
LogP2.58
Rot. Bonds7

About (2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N,6-diphenylhexanamide

(2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N,6-diphenylhexanamide (PubChem CID 68889008) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N,6-diphenylhexanamide.

Molecular Properties

Compound Name(2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N,6-diphenylhexanamide
PubChem CID68889008
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N,6-diphenylhexanamide
SMILESC[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-14(19(23)21-16-10-6-3-7-11-16)12-18(22)17(20)13-15-8-4-2-5-9-15/h2-11,14,17-18,22H,12-13,20H2,1H3,(H,21,23)/t14-,17+,18+/m1/s1
InChIKeyJQBAFAGDAXVBSM-JLSDUUJJSA-N
XLogP2.58
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.58
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-4-hydroxy-2-methyl-N,6-diphenylhexanamide?
The IUPAC name of (2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N,6-diphenylhexanamide (CID 68889008) is (2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N,6-diphenylhexanamide.
What is the SMILES notation for (2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N,6-diphenylhexanamide?
The canonical SMILES for (2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N,6-diphenylhexanamide is C[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of (2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N,6-diphenylhexanamide?
The InChIKey is JQBAFAGDAXVBSM-JLSDUUJJSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14(19(23)21-16-10-6-3-7-11-16)12-18(22)17(20)13-15-8-4-2-5-9-15/h2-11,14,17-18,22H,12-13,20H2,1H3,(H,21,23)/t14-,17+,18+/m1/s1.
What are the key properties of (2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N,6-diphenylhexanamide?
(2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N,6-diphenylhexanamide has a molecular weight of 312.41 g/mol, XLogP of 2.58, 7 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-4-hydroxy-2-methyl-N,6-diphenylhexanamide is sourced from PubChem (CID 68889008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).