N-[(4R,5E)-1,2-bis[dimethyl(phenyl)silyl]hepta-2,5-dien-4-yl]acetamide

C25H35NOSi2 — CID 134846474

IUPACN-[(4R,5E)-1,2-bis[dimethyl(phenyl)silyl]hepta-2,5-dien-4-yl]acetamide
SMILESC/C=C/[C@H](C=C(C[Si](C)(C)c1ccccc1)[Si](C)(C)c1ccccc1)NC(C)=O
InChIInChI=1S/C25H35NOSi2/c1-7-14-22(26-21(2)27)19-25(29(5,6)24-17-12-9-13-18-24)20-28(3,4)23-15-10-8-11-16-23/h7-19,22H,20H2,1-6H3,(H,26,27)/b14-7+,25-19?/t22-/m1/s1
InChIKeyISGZGNQBHONOSO-PKFYHZMNSA-N
MW421.73 g/mol
LogP4.76
Rot. Bonds8

About N-[(4R,5E)-1,2-bis[dimethyl(phenyl)silyl]hepta-2,5-dien-4-yl]acetamide

N-[(4R,5E)-1,2-bis[dimethyl(phenyl)silyl]hepta-2,5-dien-4-yl]acetamide (PubChem CID 134846474) has the molecular formula C25H35NOSi2 and a molecular weight of 421.73 g/mol. Its IUPAC name is N-[(4R,5E)-1,2-bis[dimethyl(phenyl)silyl]hepta-2,5-dien-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4R,5E)-1,2-bis[dimethyl(phenyl)silyl]hepta-2,5-dien-4-yl]acetamide
PubChem CID134846474
Molecular FormulaC25H35NOSi2
Molecular Weight421.73 g/mol
Exact Mass421.23
IUPAC NameN-[(4R,5E)-1,2-bis[dimethyl(phenyl)silyl]hepta-2,5-dien-4-yl]acetamide
SMILESC/C=C/[C@H](C=C(C[Si](C)(C)c1ccccc1)[Si](C)(C)c1ccccc1)NC(C)=O
InChIInChI=1S/C25H35NOSi2/c1-7-14-22(26-21(2)27)19-25(29(5,6)24-17-12-9-13-18-24)20-28(3,4)23-15-10-8-11-16-23/h7-19,22H,20H2,1-6H3,(H,26,27)/b14-7+,25-19?/t22-/m1/s1
InChIKeyISGZGNQBHONOSO-PKFYHZMNSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.73
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(4R,5E)-1,2-bis[dimethyl(phenyl)silyl]hepta-2,5-dien-4-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[dimethyl(phenyl)silyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 10660014
N-[1-[dimethyl(phenyl)silyl]propyl]acetamide
CID 11075395
N-[(2R)-4,5-bis[dimethyl(phenyl)silyl]pent-3-en-2-yl]acetamide
CID 134846472
N-[(1E,3R)-5,6-bis[dimethyl(phenyl)silyl]-1-phenylhexa-1,4-dien-3-yl]acetamide
CID 134846535
N-[(E,2S)-6-[tert-butyl(diphenyl)silyl]oxyhex-3-en-2-yl]-2,2,2-trifluoroacetamide
CID 23657254
N-[[dimethyl(phenyl)silyl]methyl]acetamide
CID 262877
2-methyl-N-[1-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide
CID 20158533
N-[3-[[diphenyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propyl]-2-methylbutanamide
CID 20652817
N-[[methyl-[methyl-(methylaminomethyl)-phenylsilyl]oxy-phenylsilyl]methyl]acetamide
CID 53715134
2-methyl-N-[3-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide
CID 53893767
N-[3-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide
CID 66818519
N-[1-tris[[dimethyl(phenyl)silyl]oxy]silylpropyl]prop-2-enamide
CID 67061647

Frequently Asked Questions

What is the IUPAC name of N-[(4R,5E)-1,2-bis[dimethyl(phenyl)silyl]hepta-2,5-dien-4-yl]acetamide?
The IUPAC name of N-[(4R,5E)-1,2-bis[dimethyl(phenyl)silyl]hepta-2,5-dien-4-yl]acetamide (CID 134846474) is N-[(4R,5E)-1,2-bis[dimethyl(phenyl)silyl]hepta-2,5-dien-4-yl]acetamide.
What is the SMILES notation for N-[(4R,5E)-1,2-bis[dimethyl(phenyl)silyl]hepta-2,5-dien-4-yl]acetamide?
The canonical SMILES for N-[(4R,5E)-1,2-bis[dimethyl(phenyl)silyl]hepta-2,5-dien-4-yl]acetamide is C/C=C/[C@H](C=C(C[Si](C)(C)c1ccccc1)[Si](C)(C)c1ccccc1)NC(C)=O.
What is the InChIKey of N-[(4R,5E)-1,2-bis[dimethyl(phenyl)silyl]hepta-2,5-dien-4-yl]acetamide?
The InChIKey is ISGZGNQBHONOSO-PKFYHZMNSA-N. The full InChI is InChI=1S/C25H35NOSi2/c1-7-14-22(26-21(2)27)19-25(29(5,6)24-17-12-9-13-18-24)20-28(3,4)23-15-10-8-11-16-23/h7-19,22H,20H2,1-6H3,(H,26,27)/b14-7+,25-19?/t22-/m1/s1.
What are the key properties of N-[(4R,5E)-1,2-bis[dimethyl(phenyl)silyl]hepta-2,5-dien-4-yl]acetamide?
N-[(4R,5E)-1,2-bis[dimethyl(phenyl)silyl]hepta-2,5-dien-4-yl]acetamide has a molecular weight of 421.73 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R,5E)-1,2-bis[dimethyl(phenyl)silyl]hepta-2,5-dien-4-yl]acetamide is sourced from PubChem (CID 134846474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).