N-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]-N-propan-2-ylheptanamide

C31H49NO2Si — CID 70854968

IUPACN-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]-N-propan-2-ylheptanamide
SMILESCCCCCCC(=O)N(CCCCCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C31H49NO2Si/c1-6-7-8-17-24-30(33)32(27(2)3)26-19-10-9-18-25-31(4,5)35(34,28-20-13-11-14-21-28)29-22-15-12-16-23-29/h11-16,20-23,27,34H,6-10,17-19,24-26H2,1-5H3
InChIKeyDFSWIWJSNAXQNE-UHFFFAOYSA-N
MW495.82 g/mol
LogP6.68
Rot. Bonds16

About N-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]-N-propan-2-ylheptanamide

N-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]-N-propan-2-ylheptanamide (PubChem CID 70854968) has the molecular formula C31H49NO2Si and a molecular weight of 495.82 g/mol. Its IUPAC name is N-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]-N-propan-2-ylheptanamide.

Molecular Properties

Compound NameN-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]-N-propan-2-ylheptanamide
PubChem CID70854968
Molecular FormulaC31H49NO2Si
Molecular Weight495.82 g/mol
Exact Mass495.35
IUPAC NameN-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]-N-propan-2-ylheptanamide
SMILESCCCCCCC(=O)N(CCCCCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C31H49NO2Si/c1-6-7-8-17-24-30(33)32(27(2)3)26-19-10-9-18-25-31(4,5)35(34,28-20-13-11-14-21-28)29-22-15-12-16-23-29/h11-16,20-23,27,34H,6-10,17-19,24-26H2,1-5H3
InChIKeyDFSWIWJSNAXQNE-UHFFFAOYSA-N
XLogP6.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.82
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]-N-propan-2-ylheptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]-N-propan-2-ylheptanamide?
The IUPAC name of N-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]-N-propan-2-ylheptanamide (CID 70854968) is N-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]-N-propan-2-ylheptanamide.
What is the SMILES notation for N-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]-N-propan-2-ylheptanamide?
The canonical SMILES for N-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]-N-propan-2-ylheptanamide is CCCCCCC(=O)N(CCCCCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)C(C)C.
What is the InChIKey of N-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]-N-propan-2-ylheptanamide?
The InChIKey is DFSWIWJSNAXQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H49NO2Si/c1-6-7-8-17-24-30(33)32(27(2)3)26-19-10-9-18-25-31(4,5)35(34,28-20-13-11-14-21-28)29-22-15-12-16-23-29/h11-16,20-23,27,34H,6-10,17-19,24-26H2,1-5H3.
What are the key properties of N-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]-N-propan-2-ylheptanamide?
N-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]-N-propan-2-ylheptanamide has a molecular weight of 495.82 g/mol, XLogP of 6.68, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[hydroxy(diphenyl)silyl]-7-methyloctyl]-N-propan-2-ylheptanamide is sourced from PubChem (CID 70854968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).