(Z)-N,N-dibenzyl-7-triethylsilylhept-6-enamide

C27H39NOSi — CID 45140883

IUPAC(Z)-N,N-dibenzyl-7-triethylsilylhept-6-enamide
SMILESCC[Si](/C=C\CCCCC(=O)N(Cc1ccccc1)Cc1ccccc1)(CC)CC
InChIInChI=1S/C27H39NOSi/c1-4-30(5-2,6-3)22-16-8-7-15-21-27(29)28(23-25-17-11-9-12-18-25)24-26-19-13-10-14-20-26/h9-14,16-20,22H,4-8,15,21,23-24H2,1-3H3/b22-16-
InChIKeyQGWPLGIGTNNLNK-JWGURIENSA-N
MW421.70 g/mol
LogP7.38
Rot. Bonds13

About (Z)-N,N-dibenzyl-7-triethylsilylhept-6-enamide

(Z)-N,N-dibenzyl-7-triethylsilylhept-6-enamide (PubChem CID 45140883) has the molecular formula C27H39NOSi and a molecular weight of 421.70 g/mol. Its IUPAC name is (Z)-N,N-dibenzyl-7-triethylsilylhept-6-enamide.

Molecular Properties

Compound Name(Z)-N,N-dibenzyl-7-triethylsilylhept-6-enamide
PubChem CID45140883
Molecular FormulaC27H39NOSi
Molecular Weight421.70 g/mol
Exact Mass421.28
IUPAC Name(Z)-N,N-dibenzyl-7-triethylsilylhept-6-enamide
SMILESCC[Si](/C=C\CCCCC(=O)N(Cc1ccccc1)Cc1ccccc1)(CC)CC
InChIInChI=1S/C27H39NOSi/c1-4-30(5-2,6-3)22-16-8-7-15-21-27(29)28(23-25-17-11-9-12-18-25)24-26-19-13-10-14-20-26/h9-14,16-20,22H,4-8,15,21,23-24H2,1-3H3/b22-16-
InChIKeyQGWPLGIGTNNLNK-JWGURIENSA-N
XLogP7.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.70
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-dibenzyl-7-triethylsilylhept-6-enamide?
The IUPAC name of (Z)-N,N-dibenzyl-7-triethylsilylhept-6-enamide (CID 45140883) is (Z)-N,N-dibenzyl-7-triethylsilylhept-6-enamide.
What is the SMILES notation for (Z)-N,N-dibenzyl-7-triethylsilylhept-6-enamide?
The canonical SMILES for (Z)-N,N-dibenzyl-7-triethylsilylhept-6-enamide is CC[Si](/C=C\CCCCC(=O)N(Cc1ccccc1)Cc1ccccc1)(CC)CC.
What is the InChIKey of (Z)-N,N-dibenzyl-7-triethylsilylhept-6-enamide?
The InChIKey is QGWPLGIGTNNLNK-JWGURIENSA-N. The full InChI is InChI=1S/C27H39NOSi/c1-4-30(5-2,6-3)22-16-8-7-15-21-27(29)28(23-25-17-11-9-12-18-25)24-26-19-13-10-14-20-26/h9-14,16-20,22H,4-8,15,21,23-24H2,1-3H3/b22-16-.
What are the key properties of (Z)-N,N-dibenzyl-7-triethylsilylhept-6-enamide?
(Z)-N,N-dibenzyl-7-triethylsilylhept-6-enamide has a molecular weight of 421.70 g/mol, XLogP of 7.38, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dibenzyl-7-triethylsilylhept-6-enamide is sourced from PubChem (CID 45140883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).