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

C20H31NO2Si — CID 134981877

IUPAC(E,2Z)-4-deuterio-2-[deuterio(trimethylsilyl)methylidene]-N,N-diethyl-5-phenylmethoxypent-3-enamide
SMILES[2H]/C(=C(\C=C(/[2H])COCc1ccccc1)C(=O)N(CC)CC)[Si](C)(C)C
InChIInChI=1S/C20H31NO2Si/c1-6-21(7-2)20(22)19(17-24(3,4)5)14-11-15-23-16-18-12-9-8-10-13-18/h8-14,17H,6-7,15-16H2,1-5H3/b14-11+,19-17-/i11D,17D
InChIKeyGZXZSSIEKRQIHO-XSDKMQNASA-N
MW347.57 g/mol
LogP4.43
Rot. Bonds9

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

(E,2Z)-4-deuterio-2-[deuterio(trimethylsilyl)methylidene]-N,N-diethyl-5-phenylmethoxypent-3-enamide (PubChem CID 134981877) has the molecular formula C20H31NO2Si and a molecular weight of 347.57 g/mol. Its IUPAC name is (E,2Z)-4-deuterio-2-[deuterio(trimethylsilyl)methylidene]-N,N-diethyl-5-phenylmethoxypent-3-enamide.

Molecular Properties

Compound Name(E,2Z)-4-deuterio-2-[deuterio(trimethylsilyl)methylidene]-N,N-diethyl-5-phenylmethoxypent-3-enamide
PubChem CID134981877
Molecular FormulaC20H31NO2Si
Molecular Weight347.57 g/mol
Exact Mass347.22
IUPAC Name(E,2Z)-4-deuterio-2-[deuterio(trimethylsilyl)methylidene]-N,N-diethyl-5-phenylmethoxypent-3-enamide
SMILES[2H]/C(=C(\C=C(/[2H])COCc1ccccc1)C(=O)N(CC)CC)[Si](C)(C)C
InChIInChI=1S/C20H31NO2Si/c1-6-21(7-2)20(22)19(17-24(3,4)5)14-11-15-23-16-18-12-9-8-10-13-18/h8-14,17H,6-7,15-16H2,1-5H3/b14-11+,19-17-/i11D,17D
InChIKeyGZXZSSIEKRQIHO-XSDKMQNASA-N
XLogP4.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.57
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethyl-1-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 71998902
1-[4-(3-Phenylmethoxypropyl)piperazin-1-yl]prop-2-en-1-one
CID 172453752
1-[4-(2-Phenylmethoxyethyl)piperidin-1-yl]propan-1-one
CID 53150597
(E)-6-phenylmethoxy-N,N-di(propan-2-yl)hex-3-enamide
CID 134838858
(1S,9aR)-1-(phenylmethoxymethyl)-1,6,9,9a-tetrahydroquinolizin-4-one
CID 11369227
N-[(3S,4R)-3-(phenylmethoxymethyl)hepta-1,6-dien-4-yl]-N-prop-2-enylprop-2-enamide
CID 11370787
(9S,9aR)-9-(phenylmethoxymethyl)-1,6,9,9a-tetrahydroquinolizin-4-one
CID 11471196
Acetamide, N-(ethoxyphenylmethyl)-N-[5-(trimethylsilyl)-3-pentynyl]-
CID 13434256
ethyl N-[ethoxy(phenyl)methyl]-N-[(Z)-5-trimethylsilylpent-3-enyl]carbamate
CID 13434279
N-(2-phenylmethoxyethyl)-5-trimethylsilylpent-4-ynamide
CID 15447302
Benzyl 2-oxo-5,6-dihydropyridine-1(2H)-carboxylate
CID 16046312
benzyl 6-ethenyl-5-[1-tri(propan-2-yl)silyloxyethenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 24179587

Frequently Asked Questions

What is the IUPAC name of (E,2Z)-4-deuterio-2-[deuterio(trimethylsilyl)methylidene]-N,N-diethyl-5-phenylmethoxypent-3-enamide?
The IUPAC name of (E,2Z)-4-deuterio-2-[deuterio(trimethylsilyl)methylidene]-N,N-diethyl-5-phenylmethoxypent-3-enamide (CID 134981877) is (E,2Z)-4-deuterio-2-[deuterio(trimethylsilyl)methylidene]-N,N-diethyl-5-phenylmethoxypent-3-enamide.
What is the SMILES notation for (E,2Z)-4-deuterio-2-[deuterio(trimethylsilyl)methylidene]-N,N-diethyl-5-phenylmethoxypent-3-enamide?
The canonical SMILES for (E,2Z)-4-deuterio-2-[deuterio(trimethylsilyl)methylidene]-N,N-diethyl-5-phenylmethoxypent-3-enamide is [2H]/C(=C(\C=C(/[2H])COCc1ccccc1)C(=O)N(CC)CC)[Si](C)(C)C.
What is the InChIKey of (E,2Z)-4-deuterio-2-[deuterio(trimethylsilyl)methylidene]-N,N-diethyl-5-phenylmethoxypent-3-enamide?
The InChIKey is GZXZSSIEKRQIHO-XSDKMQNASA-N. The full InChI is InChI=1S/C20H31NO2Si/c1-6-21(7-2)20(22)19(17-24(3,4)5)14-11-15-23-16-18-12-9-8-10-13-18/h8-14,17H,6-7,15-16H2,1-5H3/b14-11+,19-17-/i11D,17D.
What are the key properties of (E,2Z)-4-deuterio-2-[deuterio(trimethylsilyl)methylidene]-N,N-diethyl-5-phenylmethoxypent-3-enamide?
(E,2Z)-4-deuterio-2-[deuterio(trimethylsilyl)methylidene]-N,N-diethyl-5-phenylmethoxypent-3-enamide has a molecular weight of 347.57 g/mol, XLogP of 4.43, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2Z)-4-deuterio-2-[deuterio(trimethylsilyl)methylidene]-N,N-diethyl-5-phenylmethoxypent-3-enamide is sourced from PubChem (CID 134981877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).