N-hex-5-enyl-N-[(E)-3-[methyl(diphenyl)silyl]prop-2-enyl]undec-10-enamide

C33H47NOSi — CID 177482833

IUPACN-hex-5-enyl-N-[(E)-3-[methyl(diphenyl)silyl]prop-2-enyl]undec-10-enamide
SMILESC=CCCCCCCCCC(=O)N(C/C=C/[Si](C)(c1ccccc1)c1ccccc1)CCCCC=C
InChIInChI=1S/C33H47NOSi/c1-4-6-8-10-11-12-13-20-27-33(35)34(28-21-9-7-5-2)29-22-30-36(3,31-23-16-14-17-24-31)32-25-18-15-19-26-32/h4-5,14-19,22-26,30H,1-2,6-13,20-21,27-29H2,3H3/b30-22+
InChIKeyDNMWTPWMUJKODZ-JBASAIQMSA-N
MW501.83 g/mol
LogP7.47
Rot. Bonds19

About N-hex-5-enyl-N-[(E)-3-[methyl(diphenyl)silyl]prop-2-enyl]undec-10-enamide

N-hex-5-enyl-N-[(E)-3-[methyl(diphenyl)silyl]prop-2-enyl]undec-10-enamide (PubChem CID 177482833) has the molecular formula C33H47NOSi and a molecular weight of 501.83 g/mol. Its IUPAC name is N-hex-5-enyl-N-[(E)-3-[methyl(diphenyl)silyl]prop-2-enyl]undec-10-enamide.

Molecular Properties

Compound NameN-hex-5-enyl-N-[(E)-3-[methyl(diphenyl)silyl]prop-2-enyl]undec-10-enamide
PubChem CID177482833
Molecular FormulaC33H47NOSi
Molecular Weight501.83 g/mol
Exact Mass501.34
IUPAC NameN-hex-5-enyl-N-[(E)-3-[methyl(diphenyl)silyl]prop-2-enyl]undec-10-enamide
SMILESC=CCCCCCCCCC(=O)N(C/C=C/[Si](C)(c1ccccc1)c1ccccc1)CCCCC=C
InChIInChI=1S/C33H47NOSi/c1-4-6-8-10-11-12-13-20-27-33(35)34(28-21-9-7-5-2)29-22-30-36(3,31-23-16-14-17-24-31)32-25-18-15-19-26-32/h4-5,14-19,22-26,30H,1-2,6-13,20-21,27-29H2,3H3/b30-22+
InChIKeyDNMWTPWMUJKODZ-JBASAIQMSA-N
XLogP7.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.83
LogP ≤ 57.47
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[dimethyl(phenyl)silyl]-N,N-diethyl-3-phenylpropanamide
CID 10404952
(Z)-N,N-dibenzyl-7-triethylsilylhept-6-enamide
CID 45140883
6-[dimethyl(phenyl)silyl]-N,N-diethylhept-6-enamide
CID 86003269
(3Z)-N,N-diethyl-3-(2-phenyl-2-trimethylsilylethylidene)nonanamide
CID 101369149
(E)-7-[dimethyl(phenyl)silyl]-N,N-diethylhept-6-enamide
CID 134999553
1,7-Bis(dibutylcarbamoyl)-1,7-(diphenylphosphoryl)heptane
CID 155903097
CID 176433657
CID 176433657
(2R,3R)-3-[dimethyl(phenyl)silyl]-N,N-diethyl-2-methyl-3-phenylpropanamide
CID 9975393
[9-(N-n-butyl-N-methylcarbamoyl)nonyl]triphenylphosphonium bromide
CID 20206882
N-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]-N-propan-2-ylheptanamide
CID 70854951
N-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]-N-propan-2-ylheptanamide
CID 70854968
N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide
CID 90098397

Frequently Asked Questions

What is the IUPAC name of N-hex-5-enyl-N-[(E)-3-[methyl(diphenyl)silyl]prop-2-enyl]undec-10-enamide?
The IUPAC name of N-hex-5-enyl-N-[(E)-3-[methyl(diphenyl)silyl]prop-2-enyl]undec-10-enamide (CID 177482833) is N-hex-5-enyl-N-[(E)-3-[methyl(diphenyl)silyl]prop-2-enyl]undec-10-enamide.
What is the SMILES notation for N-hex-5-enyl-N-[(E)-3-[methyl(diphenyl)silyl]prop-2-enyl]undec-10-enamide?
The canonical SMILES for N-hex-5-enyl-N-[(E)-3-[methyl(diphenyl)silyl]prop-2-enyl]undec-10-enamide is C=CCCCCCCCCC(=O)N(C/C=C/[Si](C)(c1ccccc1)c1ccccc1)CCCCC=C.
What is the InChIKey of N-hex-5-enyl-N-[(E)-3-[methyl(diphenyl)silyl]prop-2-enyl]undec-10-enamide?
The InChIKey is DNMWTPWMUJKODZ-JBASAIQMSA-N. The full InChI is InChI=1S/C33H47NOSi/c1-4-6-8-10-11-12-13-20-27-33(35)34(28-21-9-7-5-2)29-22-30-36(3,31-23-16-14-17-24-31)32-25-18-15-19-26-32/h4-5,14-19,22-26,30H,1-2,6-13,20-21,27-29H2,3H3/b30-22+.
What are the key properties of N-hex-5-enyl-N-[(E)-3-[methyl(diphenyl)silyl]prop-2-enyl]undec-10-enamide?
N-hex-5-enyl-N-[(E)-3-[methyl(diphenyl)silyl]prop-2-enyl]undec-10-enamide has a molecular weight of 501.83 g/mol, XLogP of 7.47, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-enyl-N-[(E)-3-[methyl(diphenyl)silyl]prop-2-enyl]undec-10-enamide is sourced from PubChem (CID 177482833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).