N-butyl-N'-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]oxamide

C27H40N2O3Si — CID 70854954

IUPACN-butyl-N'-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]oxamide
SMILESCCCCNC(=O)C(=O)NCCCCCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H40N2O3Si/c1-4-5-21-28-25(30)26(31)29-22-15-7-6-14-20-27(2,3)33(32,23-16-10-8-11-17-23)24-18-12-9-13-19-24/h8-13,16-19,32H,4-7,14-15,20-22H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyZMIPUTAYAPSADT-UHFFFAOYSA-N
MW468.71 g/mol
LogP3.50
Rot. Bonds13

About N-butyl-N'-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]oxamide

N-butyl-N'-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]oxamide (PubChem CID 70854954) has the molecular formula C27H40N2O3Si and a molecular weight of 468.71 g/mol. Its IUPAC name is N-butyl-N'-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]oxamide.

Molecular Properties

Compound NameN-butyl-N'-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]oxamide
PubChem CID70854954
Molecular FormulaC27H40N2O3Si
Molecular Weight468.71 g/mol
Exact Mass468.28
IUPAC NameN-butyl-N'-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]oxamide
SMILESCCCCNC(=O)C(=O)NCCCCCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H40N2O3Si/c1-4-5-21-28-25(30)26(31)29-22-15-7-6-14-20-27(2,3)33(32,23-16-10-8-11-17-23)24-18-12-9-13-19-24/h8-13,16-19,32H,4-7,14-15,20-22H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyZMIPUTAYAPSADT-UHFFFAOYSA-N
XLogP3.50
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.71
LogP ≤ 53.50
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'}

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Related Compounds

N,N'-Bis(2-phenylethyl)oxamide
CID 3125336
N-(1-methyl-3-phenylpropyl)-N'-(2-methyl-3-phenylpropyl)ethanediamide
CID 2981419
N-(1-methyl-3-phenylpropyl)-N'-(2-phenylethyl)ethanediamide
CID 2910557
N-deshydroxyethyl Oxetacaine
CID 165429149
OXETHAZAINE_met013
CID 171114990
N1-phenethyl-N2-(3-phenylpropyl)oxalamide
CID 17201716
N1-allyl-N2-(3,3-diphenylpropyl)oxalamide
CID 18588550
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-(3,3-diphenylpropyl)oxalamide
CID 18588683
2-(3,3-diphenylpropylamino)-N,N-di(propan-2-yl)acetamide
CID 178293157
N-(2-cyclohexylethyl)-N'-(2-phenylethyl)ethanediamide
CID 2208943
2-acetamido-N-(3,3-diphenylpropyl)-2-methylpropanamide
CID 51108125
2-amino-N-(3,3-diphenylpropyl)acetamide
CID 770493

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]oxamide?
The IUPAC name of N-butyl-N'-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]oxamide (CID 70854954) is N-butyl-N'-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]oxamide.
What is the SMILES notation for N-butyl-N'-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]oxamide?
The canonical SMILES for N-butyl-N'-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]oxamide is CCCCNC(=O)C(=O)NCCCCCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-butyl-N'-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]oxamide?
The InChIKey is ZMIPUTAYAPSADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2O3Si/c1-4-5-21-28-25(30)26(31)29-22-15-7-6-14-20-27(2,3)33(32,23-16-10-8-11-17-23)24-18-12-9-13-19-24/h8-13,16-19,32H,4-7,14-15,20-22H2,1-3H3,(H,28,30)(H,29,31).
What are the key properties of N-butyl-N'-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]oxamide?
N-butyl-N'-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]oxamide has a molecular weight of 468.71 g/mol, XLogP of 3.50, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]oxamide is sourced from PubChem (CID 70854954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).