(2S)-2-carbazol-9-yl-N-(2-trimethoxysilylethyl)propanamide

C20H26N2O4Si — CID 58608771

IUPAC(2S)-2-carbazol-9-yl-N-(2-trimethoxysilylethyl)propanamide
SMILESCO[Si](CCNC(=O)[C@H](C)n1c2ccccc2c2ccccc21)(OC)OC
InChIInChI=1S/C20H26N2O4Si/c1-15(20(23)21-13-14-27(24-2,25-3)26-4)22-18-11-7-5-9-16(18)17-10-6-8-12-19(17)22/h5-12,15H,13-14H2,1-4H3,(H,21,23)/t15-/m0/s1
InChIKeyVTMGXONBMBWEGZ-HNNXBMFYSA-N
MW386.52 g/mol
LogP3.35
Rot. Bonds8

About (2S)-2-carbazol-9-yl-N-(2-trimethoxysilylethyl)propanamide

(2S)-2-carbazol-9-yl-N-(2-trimethoxysilylethyl)propanamide (PubChem CID 58608771) has the molecular formula C20H26N2O4Si and a molecular weight of 386.52 g/mol. Its IUPAC name is (2S)-2-carbazol-9-yl-N-(2-trimethoxysilylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-carbazol-9-yl-N-(2-trimethoxysilylethyl)propanamide
PubChem CID58608771
Molecular FormulaC20H26N2O4Si
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name(2S)-2-carbazol-9-yl-N-(2-trimethoxysilylethyl)propanamide
SMILESCO[Si](CCNC(=O)[C@H](C)n1c2ccccc2c2ccccc21)(OC)OC
InChIInChI=1S/C20H26N2O4Si/c1-15(20(23)21-13-14-27(24-2,25-3)26-4)22-18-11-7-5-9-16(18)17-10-6-8-12-19(17)22/h5-12,15H,13-14H2,1-4H3,(H,21,23)/t15-/m0/s1
InChIKeyVTMGXONBMBWEGZ-HNNXBMFYSA-N
XLogP3.35
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-butyl-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)propanamide
CID 92668774
(2S)-N-[2-(3-methoxyphenyl)ethyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide
CID 95059123
N-[2-(3-methoxyphenyl)ethyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide
CID 53043793
propyl 2-carbazol-9-ylpropanoate
CID 20752206
2-[3-(3,4-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)propanamide
CID 42811751
N-[(4-methoxyphenyl)methyl]-2-(3-methylindazol-1-yl)propanamide
CID 3342933
(2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 95064644
2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 53207440
N-(3,3-dimethylbutyl)-2-(2-methoxycarbazol-9-yl)butanamide
CID 91483085
N-[(2-fluorophenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide
CID 53055058
N-[(4-ethoxyphenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide
CID 53055069
methyl 2-(3-methoxyindol-1-yl)propanoate
CID 162779328

Frequently Asked Questions

What is the IUPAC name of (2S)-2-carbazol-9-yl-N-(2-trimethoxysilylethyl)propanamide?
The IUPAC name of (2S)-2-carbazol-9-yl-N-(2-trimethoxysilylethyl)propanamide (CID 58608771) is (2S)-2-carbazol-9-yl-N-(2-trimethoxysilylethyl)propanamide.
What is the SMILES notation for (2S)-2-carbazol-9-yl-N-(2-trimethoxysilylethyl)propanamide?
The canonical SMILES for (2S)-2-carbazol-9-yl-N-(2-trimethoxysilylethyl)propanamide is CO[Si](CCNC(=O)[C@H](C)n1c2ccccc2c2ccccc21)(OC)OC.
What is the InChIKey of (2S)-2-carbazol-9-yl-N-(2-trimethoxysilylethyl)propanamide?
The InChIKey is VTMGXONBMBWEGZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N2O4Si/c1-15(20(23)21-13-14-27(24-2,25-3)26-4)22-18-11-7-5-9-16(18)17-10-6-8-12-19(17)22/h5-12,15H,13-14H2,1-4H3,(H,21,23)/t15-/m0/s1.
What are the key properties of (2S)-2-carbazol-9-yl-N-(2-trimethoxysilylethyl)propanamide?
(2S)-2-carbazol-9-yl-N-(2-trimethoxysilylethyl)propanamide has a molecular weight of 386.52 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-carbazol-9-yl-N-(2-trimethoxysilylethyl)propanamide is sourced from PubChem (CID 58608771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).