benzyl (Z,4R)-5-phenyl-4-(phenylmethoxycarbonylamino)pent-2-enoate

C26H25NO4 — CID 177455806

IUPACbenzyl (Z,4R)-5-phenyl-4-(phenylmethoxycarbonylamino)pent-2-enoate
SMILESO=C(/C=C\[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C26H25NO4/c28-25(30-19-22-12-6-2-7-13-22)17-16-24(18-21-10-4-1-5-11-21)27-26(29)31-20-23-14-8-3-9-15-23/h1-17,24H,18-20H2,(H,27,29)/b17-16-/t24-/m0/s1
InChIKeyDPSSEUIJBHZBEG-WIJSZAOYSA-N
MW415.49 g/mol
LogP4.82
Rot. Bonds9

About benzyl (Z,4R)-5-phenyl-4-(phenylmethoxycarbonylamino)pent-2-enoate

benzyl (Z,4R)-5-phenyl-4-(phenylmethoxycarbonylamino)pent-2-enoate (PubChem CID 177455806) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is benzyl (Z,4R)-5-phenyl-4-(phenylmethoxycarbonylamino)pent-2-enoate.

Molecular Properties

Compound Namebenzyl (Z,4R)-5-phenyl-4-(phenylmethoxycarbonylamino)pent-2-enoate
PubChem CID177455806
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Namebenzyl (Z,4R)-5-phenyl-4-(phenylmethoxycarbonylamino)pent-2-enoate
SMILESO=C(/C=C\[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C26H25NO4/c28-25(30-19-22-12-6-2-7-13-22)17-16-24(18-21-10-4-1-5-11-21)27-26(29)31-20-23-14-8-3-9-15-23/h1-17,24H,18-20H2,(H,27,29)/b17-16-/t24-/m0/s1
InChIKeyDPSSEUIJBHZBEG-WIJSZAOYSA-N
XLogP4.82
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[(E,2R,5R)-5-methyl-1,6-diphenylhex-3-en-2-yl]carbamate
CID 58416912
(Z,6S)-7-phenyl-6-(phenylmethoxycarbonylamino)hept-4-enoic acid
CID 70048195
methyl (E,4S)-6-methylsulfanyl-4-(phenylmethoxycarbonylamino)hex-2-enoate
CID 10903408
6-O-tert-butyl 1-O-ethyl (E,4S)-4-(phenylmethoxycarbonylamino)hex-2-enedioate
CID 141481393
methyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate
CID 69430453
benzyl N-[(E)-6-oxo-1-phenylhept-4-en-3-yl]carbamate
CID 102041272
benzyl N-[(2R)-1-oxo-3-(4-propan-2-ylphenyl)propan-2-yl]carbamate
CID 89155610
benzyl N-[(E,4S)-1-(dimethylamino)-6-methyl-1-oxohept-2-en-4-yl]carbamate
CID 71598105
benzyl (E)-3-aminoprop-2-enoate
CID 12649137
benzyl N-[(1R)-1-fluoro-2-phenylethyl]carbamate
CID 11346335
benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 4283517
(2S,3R)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoic acid
CID 11067450

Frequently Asked Questions

What is the IUPAC name of benzyl (Z,4R)-5-phenyl-4-(phenylmethoxycarbonylamino)pent-2-enoate?
The IUPAC name of benzyl (Z,4R)-5-phenyl-4-(phenylmethoxycarbonylamino)pent-2-enoate (CID 177455806) is benzyl (Z,4R)-5-phenyl-4-(phenylmethoxycarbonylamino)pent-2-enoate.
What is the SMILES notation for benzyl (Z,4R)-5-phenyl-4-(phenylmethoxycarbonylamino)pent-2-enoate?
The canonical SMILES for benzyl (Z,4R)-5-phenyl-4-(phenylmethoxycarbonylamino)pent-2-enoate is O=C(/C=C\[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl (Z,4R)-5-phenyl-4-(phenylmethoxycarbonylamino)pent-2-enoate?
The InChIKey is DPSSEUIJBHZBEG-WIJSZAOYSA-N. The full InChI is InChI=1S/C26H25NO4/c28-25(30-19-22-12-6-2-7-13-22)17-16-24(18-21-10-4-1-5-11-21)27-26(29)31-20-23-14-8-3-9-15-23/h1-17,24H,18-20H2,(H,27,29)/b17-16-/t24-/m0/s1.
What are the key properties of benzyl (Z,4R)-5-phenyl-4-(phenylmethoxycarbonylamino)pent-2-enoate?
benzyl (Z,4R)-5-phenyl-4-(phenylmethoxycarbonylamino)pent-2-enoate has a molecular weight of 415.49 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (Z,4R)-5-phenyl-4-(phenylmethoxycarbonylamino)pent-2-enoate is sourced from PubChem (CID 177455806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).