ethanol;9-ethylcarbazole-3-carbaldehyde;(9-ethylcarbazol-3-yl)methanol;(9-ethylcarbazol-3-yl)methyl N-(3-triethoxysilylpropyl)carbamate;N-methylacetamide

C60H77N5O9Si — CID 157410466

IUPACethanol;9-ethylcarbazole-3-carbaldehyde;(9-ethylcarbazol-3-yl)methanol;(9-ethylcarbazol-3-yl)methyl N-(3-triethoxysilylpropyl)carbamate;N-methylacetamide
SMILESCCO.CCO[Si](CCCNC(=O)OCc1ccc2c(c1)c1ccccc1n2CC)(OCC)OCC.CCn1c2ccccc2c2cc(C=O)ccc21.CCn1c2ccccc2c2cc(CO)ccc21.CNC(C)=O
InChIInChI=1S/C25H36N2O5Si.C15H15NO.C15H13NO.C3H7NO.C2H6O/c1-5-27-23-13-10-9-12-21(23)22-18-20(14-15-24(22)27)19-29-25(28)26-16-11-17-33(30-6-2,31-7-3)32-8-4;2*1-2-16-14-6-4-3-5-12(14)13-9-11(10-17)7-8-15(13)16;1-3(5)4-2;1-2-3/h9-10,12-15,18H,5-8,11,16-17,19H2,1-4H3,(H,26,28);3-9,17H,2,10H2,1H3;3-10H,2H2,1H3;1-2H3,(H,4,5);3H,2H2,1H3
InChIKeyBOFMMDKHWCSRRH-UHFFFAOYSA-N
MW1040.39 g/mol
LogP12.16
Rot. Bonds17

About ethanol;9-ethylcarbazole-3-carbaldehyde;(9-ethylcarbazol-3-yl)methanol;(9-ethylcarbazol-3-yl)methyl N-(3-triethoxysilylpropyl)carbamate;N-methylacetamide

ethanol;9-ethylcarbazole-3-carbaldehyde;(9-ethylcarbazol-3-yl)methanol;(9-ethylcarbazol-3-yl)methyl N-(3-triethoxysilylpropyl)carbamate;N-methylacetamide (PubChem CID 157410466) has the molecular formula C60H77N5O9Si and a molecular weight of 1040.39 g/mol. Its IUPAC name is ethanol;9-ethylcarbazole-3-carbaldehyde;(9-ethylcarbazol-3-yl)methanol;(9-ethylcarbazol-3-yl)methyl N-(3-triethoxysilylpropyl)carbamate;N-methylacetamide.

Molecular Properties

Compound Nameethanol;9-ethylcarbazole-3-carbaldehyde;(9-ethylcarbazol-3-yl)methanol;(9-ethylcarbazol-3-yl)methyl N-(3-triethoxysilylpropyl)carbamate;N-methylacetamide
PubChem CID157410466
Molecular FormulaC60H77N5O9Si
Molecular Weight1040.39 g/mol
Exact Mass1039.55
IUPAC Nameethanol;9-ethylcarbazole-3-carbaldehyde;(9-ethylcarbazol-3-yl)methanol;(9-ethylcarbazol-3-yl)methyl N-(3-triethoxysilylpropyl)carbamate;N-methylacetamide
SMILESCCO.CCO[Si](CCCNC(=O)OCc1ccc2c(c1)c1ccccc1n2CC)(OCC)OCC.CCn1c2ccccc2c2cc(C=O)ccc21.CCn1c2ccccc2c2cc(CO)ccc21.CNC(C)=O
InChIInChI=1S/C25H36N2O5Si.C15H15NO.C15H13NO.C3H7NO.C2H6O/c1-5-27-23-13-10-9-12-21(23)22-18-20(14-15-24(22)27)19-29-25(28)26-16-11-17-33(30-6-2,31-7-3)32-8-4;2*1-2-16-14-6-4-3-5-12(14)13-9-11(10-17)7-8-15(13)16;1-3(5)4-2;1-2-3/h9-10,12-15,18H,5-8,11,16-17,19H2,1-4H3,(H,26,28);3-9,17H,2,10H2,1H3;3-10H,2H2,1H3;1-2H3,(H,4,5);3H,2H2,1H3
InChIKeyBOFMMDKHWCSRRH-UHFFFAOYSA-N
XLogP12.16
TPSA167.44 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001040.39
LogP ≤ 512.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze ethanol;9-ethylcarbazole-3-carbaldehyde;(9-ethylcarbazol-3-yl)methanol;(9-ethylcarbazol-3-yl)methyl N-(3-triethoxysilylpropyl)carbamate;N-methylacetamide 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

(S)-4'-((5-((1-((benzyloxy)carbonyl)pyrrolidin-3-yl)carbamoyl)-2,3-dimethyl-1H-indol-1-yl)methyl)-[1,1'-biphenyl]-2-carboxylic acid
CID 54579784
(S)-4'-((5-((1-(1-((benzyloxy)carbonyl)piperidin-4-yl)ethyl)carbamoyl)-2,3-dimethyl-1H-indol-1-yl)methyl)-[1,1'-biphenyl]-2-carboxylic acid
CID 54669705
benzyl (2R)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate
CID 71099329
benzyl (2S)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate
CID 71099330
benzyl (3R)-3-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate
CID 71099333
tert-butyl-dimethyl-prop-2-ynoxysilane;methyl 4-amino-2-fluorobenzoate;methyl 4-amino-2-fluoro-5-iodobenzoate;methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclopropyl-6-fluoroindole-5-carboxylate;methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-fluoro-1H-indole-5-carboxylate;methyl 1-cyclopropyl-6-fluoro-2-(hydroxymethyl)indole-5-carboxylate;methyl 2-fluoro-5-iodo-4-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 157488758
lithium;2-O-tert-butyl 8-O-methyl 1,3,4,5-tetrahydroindeno[1,2-c]pyridine-2,8-dicarboxylate;N-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide;methane;methyl 5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylate;5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid;hydroxide
CID 158666744
2-[bis[2-(2-aminoethylcarbamoyl)-1-(ethoxymethyl)indol-5-yl]carbamoyl]-1H-indole-5-carboxylic acid
CID 67550218
3-[2-[[(2S)-2-[(1-methylindole-2-carbonyl)amino]-5-[(3-methylphenyl)methoxycarbonylamino]pentanoyl]amino]phenyl]propanoic acid
CID 69520788
4'-((5-(((S)-1-((S)-1-((benzyloxy)carbonyl)pyrrolidin-2-yl)ethyl)carbamoyl)-2,3-dimethyl-1H-indol-1-yl)methyl)-[1,1'-biphenyl]-2-carboxylic acid
CID 71074620
2-[4-[[2,3-dimethyl-5-[[(1S)-1-(1-phenylmethoxycarbonylpyrrolidin-2-yl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
CID 71074622
4'-((5-(((S)-1-((R)-1-((benzyloxy)carbonyl)pyrrolidin-3-yl)ethyl)carbamoyl)-2,3-dimethyl-1H-indol-1-yl)methyl)-[1,1'-biphenyl]-2-carboxylic acid
CID 71074668

Frequently Asked Questions

What is the IUPAC name of ethanol;9-ethylcarbazole-3-carbaldehyde;(9-ethylcarbazol-3-yl)methanol;(9-ethylcarbazol-3-yl)methyl N-(3-triethoxysilylpropyl)carbamate;N-methylacetamide?
The IUPAC name of ethanol;9-ethylcarbazole-3-carbaldehyde;(9-ethylcarbazol-3-yl)methanol;(9-ethylcarbazol-3-yl)methyl N-(3-triethoxysilylpropyl)carbamate;N-methylacetamide (CID 157410466) is ethanol;9-ethylcarbazole-3-carbaldehyde;(9-ethylcarbazol-3-yl)methanol;(9-ethylcarbazol-3-yl)methyl N-(3-triethoxysilylpropyl)carbamate;N-methylacetamide.
What is the SMILES notation for ethanol;9-ethylcarbazole-3-carbaldehyde;(9-ethylcarbazol-3-yl)methanol;(9-ethylcarbazol-3-yl)methyl N-(3-triethoxysilylpropyl)carbamate;N-methylacetamide?
The canonical SMILES for ethanol;9-ethylcarbazole-3-carbaldehyde;(9-ethylcarbazol-3-yl)methanol;(9-ethylcarbazol-3-yl)methyl N-(3-triethoxysilylpropyl)carbamate;N-methylacetamide is CCO.CCO[Si](CCCNC(=O)OCc1ccc2c(c1)c1ccccc1n2CC)(OCC)OCC.CCn1c2ccccc2c2cc(C=O)ccc21.CCn1c2ccccc2c2cc(CO)ccc21.CNC(C)=O.
What is the InChIKey of ethanol;9-ethylcarbazole-3-carbaldehyde;(9-ethylcarbazol-3-yl)methanol;(9-ethylcarbazol-3-yl)methyl N-(3-triethoxysilylpropyl)carbamate;N-methylacetamide?
The InChIKey is BOFMMDKHWCSRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O5Si.C15H15NO.C15H13NO.C3H7NO.C2H6O/c1-5-27-23-13-10-9-12-21(23)22-18-20(14-15-24(22)27)19-29-25(28)26-16-11-17-33(30-6-2,31-7-3)32-8-4;2*1-2-16-14-6-4-3-5-12(14)13-9-11(10-17)7-8-15(13)16;1-3(5)4-2;1-2-3/h9-10,12-15,18H,5-8,11,16-17,19H2,1-4H3,(H,26,28);3-9,17H,2,10H2,1H3;3-10H,2H2,1H3;1-2H3,(H,4,5);3H,2H2,1H3.
What are the key properties of ethanol;9-ethylcarbazole-3-carbaldehyde;(9-ethylcarbazol-3-yl)methanol;(9-ethylcarbazol-3-yl)methyl N-(3-triethoxysilylpropyl)carbamate;N-methylacetamide?
ethanol;9-ethylcarbazole-3-carbaldehyde;(9-ethylcarbazol-3-yl)methanol;(9-ethylcarbazol-3-yl)methyl N-(3-triethoxysilylpropyl)carbamate;N-methylacetamide has a molecular weight of 1040.39 g/mol, XLogP of 12.16, 17 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;9-ethylcarbazole-3-carbaldehyde;(9-ethylcarbazol-3-yl)methanol;(9-ethylcarbazol-3-yl)methyl N-(3-triethoxysilylpropyl)carbamate;N-methylacetamide is sourced from PubChem (CID 157410466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).