(Z,2E)-N,N-diethyl-4-iodo-2-[iodo(trimethylsilyl)methylidene]-5-phenylmethoxypent-3-enamide

C20H29I2NO2Si — CID 134981860

IUPAC(Z,2E)-N,N-diethyl-4-iodo-2-[iodo(trimethylsilyl)methylidene]-5-phenylmethoxypent-3-enamide
SMILESCCN(CC)C(=O)C(/C=C(\I)COCc1ccccc1)=C(/I)[Si](C)(C)C
InChIInChI=1S/C20H29I2NO2Si/c1-6-23(7-2)20(24)18(19(22)26(3,4)5)13-17(21)15-25-14-16-11-9-8-10-12-16/h8-13H,6-7,14-15H2,1-5H3/b17-13-,19-18-
InChIKeyJMLGISOVNDNBGT-PVAPHJRMSA-N
MW597.35 g/mol
LogP5.96
Rot. Bonds9

About (Z,2E)-N,N-diethyl-4-iodo-2-[iodo(trimethylsilyl)methylidene]-5-phenylmethoxypent-3-enamide

(Z,2E)-N,N-diethyl-4-iodo-2-[iodo(trimethylsilyl)methylidene]-5-phenylmethoxypent-3-enamide (PubChem CID 134981860) has the molecular formula C20H29I2NO2Si and a molecular weight of 597.35 g/mol. Its IUPAC name is (Z,2E)-N,N-diethyl-4-iodo-2-[iodo(trimethylsilyl)methylidene]-5-phenylmethoxypent-3-enamide.

Molecular Properties

Compound Name(Z,2E)-N,N-diethyl-4-iodo-2-[iodo(trimethylsilyl)methylidene]-5-phenylmethoxypent-3-enamide
PubChem CID134981860
Molecular FormulaC20H29I2NO2Si
Molecular Weight597.35 g/mol
Exact Mass597.01
IUPAC Name(Z,2E)-N,N-diethyl-4-iodo-2-[iodo(trimethylsilyl)methylidene]-5-phenylmethoxypent-3-enamide
SMILESCCN(CC)C(=O)C(/C=C(\I)COCc1ccccc1)=C(/I)[Si](C)(C)C
InChIInChI=1S/C20H29I2NO2Si/c1-6-23(7-2)20(24)18(19(22)26(3,4)5)13-17(21)15-25-14-16-11-9-8-10-12-16/h8-13H,6-7,14-15H2,1-5H3/b17-13-,19-18-
InChIKeyJMLGISOVNDNBGT-PVAPHJRMSA-N
XLogP5.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.35
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-6-phenylmethoxy-N,N-di(propan-2-yl)hex-3-enamide
CID 134838858
N-[(3S,4R)-3-(phenylmethoxymethyl)hepta-1,6-dien-4-yl]-N-prop-2-enylprop-2-enamide
CID 11370787
Acetamide, N-(ethoxyphenylmethyl)-N-[5-(trimethylsilyl)-3-pentynyl]-
CID 13434256
N,N-diethyl-7-phenylmethoxyhept-2-ynamide
CID 85692610
N,N-diethyl-5-phenylmethoxy-2-(trimethylsilylmethylidene)pent-3-enamide;bis(propan-2-ol);titanium(2+)
CID 134887506
tert-butyl (2E,4Z)-3-(diethylcarbamoyl)-2,5-diiodo-6-phenylmethoxyhexa-2,4-dienoate
CID 134981874
(E,2Z)-N,N-diethyl-5-phenylmethoxy-2-(trimethylsilylmethylidene)pent-3-enamide
CID 134981876
(E,2Z)-4-deuterio-2-[deuterio(trimethylsilyl)methylidene]-N,N-diethyl-5-phenylmethoxypent-3-enamide
CID 134981877
benzyl N-acetyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate
CID 146164143
[phenyl(trimethylsilyl)methyl] N,N-diethylcarbamate
CID 10468846
1-Butyl-3-(3-phenylmethoxyprop-1-enylidene)pyrrolidin-2-one
CID 10589216
n-Ethyl 3-benzyloxycarbonylamino-1-iodopropane
CID 18332315

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-N,N-diethyl-4-iodo-2-[iodo(trimethylsilyl)methylidene]-5-phenylmethoxypent-3-enamide?
The IUPAC name of (Z,2E)-N,N-diethyl-4-iodo-2-[iodo(trimethylsilyl)methylidene]-5-phenylmethoxypent-3-enamide (CID 134981860) is (Z,2E)-N,N-diethyl-4-iodo-2-[iodo(trimethylsilyl)methylidene]-5-phenylmethoxypent-3-enamide.
What is the SMILES notation for (Z,2E)-N,N-diethyl-4-iodo-2-[iodo(trimethylsilyl)methylidene]-5-phenylmethoxypent-3-enamide?
The canonical SMILES for (Z,2E)-N,N-diethyl-4-iodo-2-[iodo(trimethylsilyl)methylidene]-5-phenylmethoxypent-3-enamide is CCN(CC)C(=O)C(/C=C(\I)COCc1ccccc1)=C(/I)[Si](C)(C)C.
What is the InChIKey of (Z,2E)-N,N-diethyl-4-iodo-2-[iodo(trimethylsilyl)methylidene]-5-phenylmethoxypent-3-enamide?
The InChIKey is JMLGISOVNDNBGT-PVAPHJRMSA-N. The full InChI is InChI=1S/C20H29I2NO2Si/c1-6-23(7-2)20(24)18(19(22)26(3,4)5)13-17(21)15-25-14-16-11-9-8-10-12-16/h8-13H,6-7,14-15H2,1-5H3/b17-13-,19-18-.
What are the key properties of (Z,2E)-N,N-diethyl-4-iodo-2-[iodo(trimethylsilyl)methylidene]-5-phenylmethoxypent-3-enamide?
(Z,2E)-N,N-diethyl-4-iodo-2-[iodo(trimethylsilyl)methylidene]-5-phenylmethoxypent-3-enamide has a molecular weight of 597.35 g/mol, XLogP of 5.96, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-N,N-diethyl-4-iodo-2-[iodo(trimethylsilyl)methylidene]-5-phenylmethoxypent-3-enamide is sourced from PubChem (CID 134981860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).