(E,2S,3R)-N,N-dibenzyl-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-eneselenoamide

C28H29NOSe — CID 11145187

IUPAC(E,2S,3R)-N,N-dibenzyl-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-eneselenoamide
SMILESC=CC[C@H](C(=[Se])N(Cc1ccccc1)Cc1ccccc1)[C@H](O)/C=C/c1ccccc1
InChIInChI=1S/C28H29NOSe/c1-2-12-26(27(30)20-19-23-13-6-3-7-14-23)28(31)29(21-24-15-8-4-9-16-24)22-25-17-10-5-11-18-25/h2-11,13-20,26-27,30H,1,12,21-22H2/b20-19+/t26-,27+/m0/s1
InChIKeyYRAYSEIFGNLKEL-LPTRFYTHSA-N
MW474.51 g/mol
LogP5.25
Rot. Bonds11

About (E,2S,3R)-N,N-dibenzyl-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-eneselenoamide

(E,2S,3R)-N,N-dibenzyl-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-eneselenoamide (PubChem CID 11145187) has the molecular formula C28H29NOSe and a molecular weight of 474.51 g/mol. Its IUPAC name is (E,2S,3R)-N,N-dibenzyl-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-eneselenoamide.

Molecular Properties

Compound Name(E,2S,3R)-N,N-dibenzyl-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-eneselenoamide
PubChem CID11145187
Molecular FormulaC28H29NOSe
Molecular Weight474.51 g/mol
Exact Mass475.14
IUPAC Name(E,2S,3R)-N,N-dibenzyl-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-eneselenoamide
SMILESC=CC[C@H](C(=[Se])N(Cc1ccccc1)Cc1ccccc1)[C@H](O)/C=C/c1ccccc1
InChIInChI=1S/C28H29NOSe/c1-2-12-26(27(30)20-19-23-13-6-3-7-14-23)28(31)29(21-24-15-8-4-9-16-24)22-25-17-10-5-11-18-25/h2-11,13-20,26-27,30H,1,12,21-22H2/b20-19+/t26-,27+/m0/s1
InChIKeyYRAYSEIFGNLKEL-LPTRFYTHSA-N
XLogP5.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.51
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E,2S)-N,N-dibenzyl-2-hydroxy-4-phenylbut-3-enamide
CID 138982111
(E,3S,4S)-4-(dibenzylamino)-6-methyl-1-phenylhept-1-en-3-ol
CID 102427916
(2S)-2-[benzyl-[(1E)-1-phenylhexa-1,5-dien-3-yl]amino]-2-phenylethanol
CID 100951400
N,N-dibenzyl-2-hydroxy-2-phenylethaneselenoamide
CID 102113641
(4R)-4-benzyl-3-[(2S,3S)-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-enoyl]-1,3-oxazolidin-2-one
CID 67113562
(1E,6E)-4-ethenyl-1-phenylnona-1,6,8-trien-3-ol
CID 88694915
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
(E)-N-benzyl-4-phenyl-N-prop-2-enylbut-3-enamide
CID 66486277
2-[(E)-2-phenylethenyl]pent-4-enal
CID 12714689
(2R)-N,N-dibenzyl-1-phenylpent-4-en-2-amine
CID 162403052
N-benzyl-3-hydroxy-N-prop-2-enylpent-4-enamide
CID 134893638
benzyl (E,2S,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enoate
CID 134904469

Frequently Asked Questions

What is the IUPAC name of (E,2S,3R)-N,N-dibenzyl-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-eneselenoamide?
The IUPAC name of (E,2S,3R)-N,N-dibenzyl-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-eneselenoamide (CID 11145187) is (E,2S,3R)-N,N-dibenzyl-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-eneselenoamide.
What is the SMILES notation for (E,2S,3R)-N,N-dibenzyl-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-eneselenoamide?
The canonical SMILES for (E,2S,3R)-N,N-dibenzyl-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-eneselenoamide is C=CC[C@H](C(=[Se])N(Cc1ccccc1)Cc1ccccc1)[C@H](O)/C=C/c1ccccc1.
What is the InChIKey of (E,2S,3R)-N,N-dibenzyl-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-eneselenoamide?
The InChIKey is YRAYSEIFGNLKEL-LPTRFYTHSA-N. The full InChI is InChI=1S/C28H29NOSe/c1-2-12-26(27(30)20-19-23-13-6-3-7-14-23)28(31)29(21-24-15-8-4-9-16-24)22-25-17-10-5-11-18-25/h2-11,13-20,26-27,30H,1,12,21-22H2/b20-19+/t26-,27+/m0/s1.
What are the key properties of (E,2S,3R)-N,N-dibenzyl-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-eneselenoamide?
(E,2S,3R)-N,N-dibenzyl-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-eneselenoamide has a molecular weight of 474.51 g/mol, XLogP of 5.25, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3R)-N,N-dibenzyl-3-hydroxy-5-phenyl-2-prop-2-enylpent-4-eneselenoamide is sourced from PubChem (CID 11145187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).