N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]acetamide

C13H17NO3 — CID 10752241

IUPACN-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]acetamide
SMILESCC(=O)N[C@@H](CO)[C@H](O)/C=C/c1ccccc1
InChIInChI=1S/C13H17NO3/c1-10(16)14-12(9-15)13(17)8-7-11-5-3-2-4-6-11/h2-8,12-13,15,17H,9H2,1H3,(H,14,16)/b8-7+/t12-,13+/m0/s1
InChIKeyNNJMNNJYXQFQMM-AHYBDNRGSA-N
MW235.28 g/mol
LogP0.56
Rot. Bonds5

About N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]acetamide

N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]acetamide (PubChem CID 10752241) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]acetamide
PubChem CID10752241
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]acetamide
SMILESCC(=O)N[C@@H](CO)[C@H](O)/C=C/c1ccccc1
InChIInChI=1S/C13H17NO3/c1-10(16)14-12(9-15)13(17)8-7-11-5-3-2-4-6-11/h2-8,12-13,15,17H,9H2,1H3,(H,14,16)/b8-7+/t12-,13+/m0/s1
InChIKeyNNJMNNJYXQFQMM-AHYBDNRGSA-N
XLogP0.56
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(E,2S,3R)-1,3-dihydroxy-5-(4-phenylphenyl)pent-4-en-2-yl]acetamide
CID 118714809
N-[(2R,3S)-1,3-dihydroxy-5-(4-pentylphenyl)pent-4-en-2-yl]acetamide
CID 91326925
1-(1,3-dihydroxy-5-phenylpent-4-en-2-yl)-3-hexylurea
CID 142667053
1-butyl-3-(1,3-dihydroxy-5-phenylpent-4-en-2-yl)thiourea
CID 142667039
N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide
CID 11735943
tert-butyl N-[(E,2R,3S)-1,3-dihydroxy-5-(4-methylphenyl)pent-4-en-2-yl]carbamate
CID 118199463
(E)-2-methyl-5-phenylpent-4-ene-1,3-diol
CID 89050087
[4-[(E,3S,4R)-3,5-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-1-enyl]phenyl] acetate
CID 56839830
(E,2R,3R,4S)-6-phenylhex-5-ene-1,2,3,4-tetrol
CID 71511914
N-[(E)-3-oxo-5-phenylpent-4-en-2-yl]acetamide
CID 11680133
(E,4R,5S)-5-hydroxy-4-methyl-7-phenylhept-6-en-3-one
CID 12031058
(E,2R,3S)-2-(methylamino)-5-(4-methylphenyl)pent-4-ene-1,3-diol
CID 139427671

Frequently Asked Questions

What is the IUPAC name of N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]acetamide?
The IUPAC name of N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]acetamide (CID 10752241) is N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]acetamide.
What is the SMILES notation for N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]acetamide?
The canonical SMILES for N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]acetamide is CC(=O)N[C@@H](CO)[C@H](O)/C=C/c1ccccc1.
What is the InChIKey of N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]acetamide?
The InChIKey is NNJMNNJYXQFQMM-AHYBDNRGSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10(16)14-12(9-15)13(17)8-7-11-5-3-2-4-6-11/h2-8,12-13,15,17H,9H2,1H3,(H,14,16)/b8-7+/t12-,13+/m0/s1.
What are the key properties of N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]acetamide?
N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]acetamide has a molecular weight of 235.28 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]acetamide is sourced from PubChem (CID 10752241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).