N,N-diethyl-7,7-bis(phenylsilyl)heptanamide

C23H35NOSi2 — CID 150989584

IUPACN,N-diethyl-7,7-bis(phenylsilyl)heptanamide
SMILESCCN(CC)C(=O)CCCCCC([SiH2]c1ccccc1)[SiH2]c1ccccc1
InChIInChI=1S/C23H35NOSi2/c1-3-24(4-2)22(25)18-12-7-13-19-23(26-20-14-8-5-9-15-20)27-21-16-10-6-11-17-21/h5-6,8-11,14-17,23H,3-4,7,12-13,18-19,26-27H2,1-2H3
InChIKeyLRVHQIUWVMAUKE-UHFFFAOYSA-N
MW397.71 g/mol
LogP2.54
Rot. Bonds12

About N,N-diethyl-7,7-bis(phenylsilyl)heptanamide

N,N-diethyl-7,7-bis(phenylsilyl)heptanamide (PubChem CID 150989584) has the molecular formula C23H35NOSi2 and a molecular weight of 397.71 g/mol. Its IUPAC name is N,N-diethyl-7,7-bis(phenylsilyl)heptanamide.

Molecular Properties

Compound NameN,N-diethyl-7,7-bis(phenylsilyl)heptanamide
PubChem CID150989584
Molecular FormulaC23H35NOSi2
Molecular Weight397.71 g/mol
Exact Mass397.23
IUPAC NameN,N-diethyl-7,7-bis(phenylsilyl)heptanamide
SMILESCCN(CC)C(=O)CCCCCC([SiH2]c1ccccc1)[SiH2]c1ccccc1
InChIInChI=1S/C23H35NOSi2/c1-3-24(4-2)22(25)18-12-7-13-19-23(26-20-14-8-5-9-15-20)27-21-16-10-6-11-17-21/h5-6,8-11,14-17,23H,3-4,7,12-13,18-19,26-27H2,1-2H3
InChIKeyLRVHQIUWVMAUKE-UHFFFAOYSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.71
LogP ≤ 52.54
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'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-7,7-bis(phenylsilyl)heptanamide?
The IUPAC name of N,N-diethyl-7,7-bis(phenylsilyl)heptanamide (CID 150989584) is N,N-diethyl-7,7-bis(phenylsilyl)heptanamide.
What is the SMILES notation for N,N-diethyl-7,7-bis(phenylsilyl)heptanamide?
The canonical SMILES for N,N-diethyl-7,7-bis(phenylsilyl)heptanamide is CCN(CC)C(=O)CCCCCC([SiH2]c1ccccc1)[SiH2]c1ccccc1.
What is the InChIKey of N,N-diethyl-7,7-bis(phenylsilyl)heptanamide?
The InChIKey is LRVHQIUWVMAUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NOSi2/c1-3-24(4-2)22(25)18-12-7-13-19-23(26-20-14-8-5-9-15-20)27-21-16-10-6-11-17-21/h5-6,8-11,14-17,23H,3-4,7,12-13,18-19,26-27H2,1-2H3.
What are the key properties of N,N-diethyl-7,7-bis(phenylsilyl)heptanamide?
N,N-diethyl-7,7-bis(phenylsilyl)heptanamide has a molecular weight of 397.71 g/mol, XLogP of 2.54, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-7,7-bis(phenylsilyl)heptanamide is sourced from PubChem (CID 150989584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).