(2R,3R,5R)-N-benzyl-3,5-dihydroxy-2-methyl-5-phenylpentanamide

C19H23NO3 — CID 138980776

IUPAC(2R,3R,5R)-N-benzyl-3,5-dihydroxy-2-methyl-5-phenylpentanamide
SMILESC[C@@H](C(=O)NCc1ccccc1)[C@H](O)C[C@@H](O)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-14(19(23)20-13-15-8-4-2-5-9-15)17(21)12-18(22)16-10-6-3-7-11-16/h2-11,14,17-18,21-22H,12-13H2,1H3,(H,20,23)/t14-,17-,18-/m1/s1
InChIKeyDEOXDKTWPLTJCX-ZTFGCOKTSA-N
MW313.40 g/mol
LogP2.42
Rot. Bonds7

About (2R,3R,5R)-N-benzyl-3,5-dihydroxy-2-methyl-5-phenylpentanamide

(2R,3R,5R)-N-benzyl-3,5-dihydroxy-2-methyl-5-phenylpentanamide (PubChem CID 138980776) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2R,3R,5R)-N-benzyl-3,5-dihydroxy-2-methyl-5-phenylpentanamide.

Molecular Properties

Compound Name(2R,3R,5R)-N-benzyl-3,5-dihydroxy-2-methyl-5-phenylpentanamide
PubChem CID138980776
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(2R,3R,5R)-N-benzyl-3,5-dihydroxy-2-methyl-5-phenylpentanamide
SMILESC[C@@H](C(=O)NCc1ccccc1)[C@H](O)C[C@@H](O)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-14(19(23)20-13-15-8-4-2-5-9-15)17(21)12-18(22)16-10-6-3-7-11-16/h2-11,14,17-18,21-22H,12-13H2,1H3,(H,20,23)/t14-,17-,18-/m1/s1
InChIKeyDEOXDKTWPLTJCX-ZTFGCOKTSA-N
XLogP2.42
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-benzyl-2-hydroxy-4-methylpentanamide
CID 10822877
N-benzyl-2-methylpropanamide;methane
CID 160760567
3-(benzylamino)-1-phenylbutan-1-ol
CID 70615080
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
(2S,3R)-N-benzyl-2,3-dihydroxy-3-phenylpropanamide
CID 71048663
N-benzyl-3-hydroxy-3-phenylpropanamide
CID 15473661
(2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide
CID 71428235
(2R)-2-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-N-benzylpropanamide
CID 95582096
(3S,4R)-3-(benzylcarbamoyl)-4-phenylpentanoic acid
CID 805106
(2R,3R)-N-benzyl-2,3-dihydroxy-N'-[(2R)-1-phenylpropan-2-yl]butanediamide
CID 59636946
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601
2,3-diamino-N-benzylbutanamide
CID 143155055

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-N-benzyl-3,5-dihydroxy-2-methyl-5-phenylpentanamide?
The IUPAC name of (2R,3R,5R)-N-benzyl-3,5-dihydroxy-2-methyl-5-phenylpentanamide (CID 138980776) is (2R,3R,5R)-N-benzyl-3,5-dihydroxy-2-methyl-5-phenylpentanamide.
What is the SMILES notation for (2R,3R,5R)-N-benzyl-3,5-dihydroxy-2-methyl-5-phenylpentanamide?
The canonical SMILES for (2R,3R,5R)-N-benzyl-3,5-dihydroxy-2-methyl-5-phenylpentanamide is C[C@@H](C(=O)NCc1ccccc1)[C@H](O)C[C@@H](O)c1ccccc1.
What is the InChIKey of (2R,3R,5R)-N-benzyl-3,5-dihydroxy-2-methyl-5-phenylpentanamide?
The InChIKey is DEOXDKTWPLTJCX-ZTFGCOKTSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14(19(23)20-13-15-8-4-2-5-9-15)17(21)12-18(22)16-10-6-3-7-11-16/h2-11,14,17-18,21-22H,12-13H2,1H3,(H,20,23)/t14-,17-,18-/m1/s1.
What are the key properties of (2R,3R,5R)-N-benzyl-3,5-dihydroxy-2-methyl-5-phenylpentanamide?
(2R,3R,5R)-N-benzyl-3,5-dihydroxy-2-methyl-5-phenylpentanamide has a molecular weight of 313.40 g/mol, XLogP of 2.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-N-benzyl-3,5-dihydroxy-2-methyl-5-phenylpentanamide is sourced from PubChem (CID 138980776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).