N-butyl-N'-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]oxamide

C34H52N2O3Si — CID 70854950

IUPACN-butyl-N'-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]oxamide
SMILESCCCCNC(=O)C(=O)NCCCC/C=C\CCCCCCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H52N2O3Si/c1-4-5-28-35-32(37)33(38)36-29-22-14-12-10-8-6-7-9-11-13-21-27-34(2,3)40(39,30-23-17-15-18-24-30)31-25-19-16-20-26-31/h8,10,15-20,23-26,39H,4-7,9,11-14,21-22,27-29H2,1-3H3,(H,35,37)(H,36,38)/b10-8-
InChIKeyGLZPNXMDJRBAGG-NTMALXAHSA-N
MW564.89 g/mol
LogP6.01
Rot. Bonds19

About N-butyl-N'-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]oxamide

N-butyl-N'-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]oxamide (PubChem CID 70854950) has the molecular formula C34H52N2O3Si and a molecular weight of 564.89 g/mol. Its IUPAC name is N-butyl-N'-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]oxamide.

Molecular Properties

Compound NameN-butyl-N'-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]oxamide
PubChem CID70854950
Molecular FormulaC34H52N2O3Si
Molecular Weight564.89 g/mol
Exact Mass564.37
IUPAC NameN-butyl-N'-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]oxamide
SMILESCCCCNC(=O)C(=O)NCCCC/C=C\CCCCCCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H52N2O3Si/c1-4-5-28-35-32(37)33(38)36-29-22-14-12-10-8-6-7-9-11-13-21-27-34(2,3)40(39,30-23-17-15-18-24-30)31-25-19-16-20-26-31/h8,10,15-20,23-26,39H,4-7,9,11-14,21-22,27-29H2,1-3H3,(H,35,37)(H,36,38)/b10-8-
InChIKeyGLZPNXMDJRBAGG-NTMALXAHSA-N
XLogP6.01
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.89
LogP ≤ 56.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]oxamide?
The IUPAC name of N-butyl-N'-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]oxamide (CID 70854950) is N-butyl-N'-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]oxamide.
What is the SMILES notation for N-butyl-N'-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]oxamide?
The canonical SMILES for N-butyl-N'-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]oxamide is CCCCNC(=O)C(=O)NCCCC/C=C\CCCCCCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-butyl-N'-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]oxamide?
The InChIKey is GLZPNXMDJRBAGG-NTMALXAHSA-N. The full InChI is InChI=1S/C34H52N2O3Si/c1-4-5-28-35-32(37)33(38)36-29-22-14-12-10-8-6-7-9-11-13-21-27-34(2,3)40(39,30-23-17-15-18-24-30)31-25-19-16-20-26-31/h8,10,15-20,23-26,39H,4-7,9,11-14,21-22,27-29H2,1-3H3,(H,35,37)(H,36,38)/b10-8-.
What are the key properties of N-butyl-N'-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]oxamide?
N-butyl-N'-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]oxamide has a molecular weight of 564.89 g/mol, XLogP of 6.01, 19 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]oxamide is sourced from PubChem (CID 70854950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).