N-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]-N-propan-2-ylheptanamide

C38H61NO2Si — CID 70854951

IUPACN-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]-N-propan-2-ylheptanamide
SMILESCCCCCCC(=O)N(CCCC/C=C\CCCCCCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C38H61NO2Si/c1-6-7-8-24-31-37(40)39(34(2)3)33-26-17-15-13-11-9-10-12-14-16-25-32-38(4,5)42(41,35-27-20-18-21-28-35)36-29-22-19-23-30-36/h11,13,18-23,27-30,34,41H,6-10,12,14-17,24-26,31-33H2,1-5H3/b13-11-
InChIKeyKQAOGRQVYPDALW-QBFSEMIESA-N
MW592.00 g/mol
LogP9.18
Rot. Bonds22

About N-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]-N-propan-2-ylheptanamide

N-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]-N-propan-2-ylheptanamide (PubChem CID 70854951) has the molecular formula C38H61NO2Si and a molecular weight of 592.00 g/mol. Its IUPAC name is N-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]-N-propan-2-ylheptanamide.

Molecular Properties

Compound NameN-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]-N-propan-2-ylheptanamide
PubChem CID70854951
Molecular FormulaC38H61NO2Si
Molecular Weight592.00 g/mol
Exact Mass591.45
IUPAC NameN-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]-N-propan-2-ylheptanamide
SMILESCCCCCCC(=O)N(CCCC/C=C\CCCCCCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C38H61NO2Si/c1-6-7-8-24-31-37(40)39(34(2)3)33-26-17-15-13-11-9-10-12-14-16-25-32-38(4,5)42(41,35-27-20-18-21-28-35)36-29-22-19-23-30-36/h11,13,18-23,27-30,34,41H,6-10,12,14-17,24-26,31-33H2,1-5H3/b13-11-
InChIKeyKQAOGRQVYPDALW-QBFSEMIESA-N
XLogP9.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.00
LogP ≤ 59.18
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]-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-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]-N-propan-2-ylheptanamide?
The IUPAC name of N-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]-N-propan-2-ylheptanamide (CID 70854951) is N-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]-N-propan-2-ylheptanamide.
What is the SMILES notation for N-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]-N-propan-2-ylheptanamide?
The canonical SMILES for N-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]-N-propan-2-ylheptanamide is CCCCCCC(=O)N(CCCC/C=C\CCCCCCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)C(C)C.
What is the InChIKey of N-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]-N-propan-2-ylheptanamide?
The InChIKey is KQAOGRQVYPDALW-QBFSEMIESA-N. The full InChI is InChI=1S/C38H61NO2Si/c1-6-7-8-24-31-37(40)39(34(2)3)33-26-17-15-13-11-9-10-12-14-16-25-32-38(4,5)42(41,35-27-20-18-21-28-35)36-29-22-19-23-30-36/h11,13,18-23,27-30,34,41H,6-10,12,14-17,24-26,31-33H2,1-5H3/b13-11-.
What are the key properties of N-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]-N-propan-2-ylheptanamide?
N-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]-N-propan-2-ylheptanamide has a molecular weight of 592.00 g/mol, XLogP of 9.18, 22 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-14-[hydroxy(diphenyl)silyl]-14-methylpentadec-5-enyl]-N-propan-2-ylheptanamide is sourced from PubChem (CID 70854951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).