(3R)-N-[(2R)-1,4-dihydroxy-4-methylpentan-2-yl]-3-hydroxy-5-oxo-6-phenylhexanamide

C18H27NO5 — CID 100636603

IUPAC(3R)-N-[(2R)-1,4-dihydroxy-4-methylpentan-2-yl]-3-hydroxy-5-oxo-6-phenylhexanamide
SMILESCC(C)(O)C[C@H](CO)NC(=O)C[C@H](O)CC(=O)Cc1ccccc1
InChIInChI=1S/C18H27NO5/c1-18(2,24)11-14(12-20)19-17(23)10-16(22)9-15(21)8-13-6-4-3-5-7-13/h3-7,14,16,20,22,24H,8-12H2,1-2H3,(H,19,23)/t14-,16-/m1/s1
InChIKeyZCEYUYRVYFKPRM-GDBMZVCRSA-N
MW337.42 g/mol
LogP0.58
Rot. Bonds10

About (3R)-N-[(2R)-1,4-dihydroxy-4-methylpentan-2-yl]-3-hydroxy-5-oxo-6-phenylhexanamide

(3R)-N-[(2R)-1,4-dihydroxy-4-methylpentan-2-yl]-3-hydroxy-5-oxo-6-phenylhexanamide (PubChem CID 100636603) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is (3R)-N-[(2R)-1,4-dihydroxy-4-methylpentan-2-yl]-3-hydroxy-5-oxo-6-phenylhexanamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-1,4-dihydroxy-4-methylpentan-2-yl]-3-hydroxy-5-oxo-6-phenylhexanamide
PubChem CID100636603
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC Name(3R)-N-[(2R)-1,4-dihydroxy-4-methylpentan-2-yl]-3-hydroxy-5-oxo-6-phenylhexanamide
SMILESCC(C)(O)C[C@H](CO)NC(=O)C[C@H](O)CC(=O)Cc1ccccc1
InChIInChI=1S/C18H27NO5/c1-18(2,24)11-14(12-20)19-17(23)10-16(22)9-15(21)8-13-6-4-3-5-7-13/h3-7,14,16,20,22,24H,8-12H2,1-2H3,(H,19,23)/t14-,16-/m1/s1
InChIKeyZCEYUYRVYFKPRM-GDBMZVCRSA-N
XLogP0.58
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4,4-trimethylpentanamide
CID 107861443
3-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,5-dimethylhexanamide
CID 107863107
4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 107862064
7,8-dihydroxy-4-methoxy-1-phenyloctan-2-one
CID 10999984
4-hydroxy-1,6-diphenylhexan-2-one
CID 24881473
4,5,5-trimethyl-1-phenylhexan-2-one
CID 63832749
N-hexan-3-yl-2-phenylacetamide
CID 129166933
3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 95040090
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 114010279
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
N-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide
CID 42561776
N-benzyl-3,4-dihydroxybutanamide
CID 69242116

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-1,4-dihydroxy-4-methylpentan-2-yl]-3-hydroxy-5-oxo-6-phenylhexanamide?
The IUPAC name of (3R)-N-[(2R)-1,4-dihydroxy-4-methylpentan-2-yl]-3-hydroxy-5-oxo-6-phenylhexanamide (CID 100636603) is (3R)-N-[(2R)-1,4-dihydroxy-4-methylpentan-2-yl]-3-hydroxy-5-oxo-6-phenylhexanamide.
What is the SMILES notation for (3R)-N-[(2R)-1,4-dihydroxy-4-methylpentan-2-yl]-3-hydroxy-5-oxo-6-phenylhexanamide?
The canonical SMILES for (3R)-N-[(2R)-1,4-dihydroxy-4-methylpentan-2-yl]-3-hydroxy-5-oxo-6-phenylhexanamide is CC(C)(O)C[C@H](CO)NC(=O)C[C@H](O)CC(=O)Cc1ccccc1.
What is the InChIKey of (3R)-N-[(2R)-1,4-dihydroxy-4-methylpentan-2-yl]-3-hydroxy-5-oxo-6-phenylhexanamide?
The InChIKey is ZCEYUYRVYFKPRM-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H27NO5/c1-18(2,24)11-14(12-20)19-17(23)10-16(22)9-15(21)8-13-6-4-3-5-7-13/h3-7,14,16,20,22,24H,8-12H2,1-2H3,(H,19,23)/t14-,16-/m1/s1.
What are the key properties of (3R)-N-[(2R)-1,4-dihydroxy-4-methylpentan-2-yl]-3-hydroxy-5-oxo-6-phenylhexanamide?
(3R)-N-[(2R)-1,4-dihydroxy-4-methylpentan-2-yl]-3-hydroxy-5-oxo-6-phenylhexanamide has a molecular weight of 337.42 g/mol, XLogP of 0.58, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-1,4-dihydroxy-4-methylpentan-2-yl]-3-hydroxy-5-oxo-6-phenylhexanamide is sourced from PubChem (CID 100636603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).