[[3-[2-(dimethylamino)ethyl]indol-1-yl]methoxy-(phenoxycarbonyloxymethoxy)phosphoryl]oxymethyl phenyl carbonate

C29H31N2O10P — CID 167307231

IUPAC[[3-[2-(dimethylamino)ethyl]indol-1-yl]methoxy-(phenoxycarbonyloxymethoxy)phosphoryl]oxymethyl phenyl carbonate
SMILESCN(C)CCc1cn(COP(=O)(OCOC(=O)Oc2ccccc2)OCOC(=O)Oc2ccccc2)c2ccccc12
InChIInChI=1S/C29H31N2O10P/c1-30(2)18-17-23-19-31(27-16-10-9-15-26(23)27)20-37-42(34,38-21-35-28(32)40-24-11-5-3-6-12-24)39-22-36-29(33)41-25-13-7-4-8-14-25/h3-16,19H,17-18,20-22H2,1-2H3
InChIKeyOYVGUWQPHLHHQA-UHFFFAOYSA-N
MW598.55 g/mol
LogP6.21
Rot. Bonds14

About [[3-[2-(dimethylamino)ethyl]indol-1-yl]methoxy-(phenoxycarbonyloxymethoxy)phosphoryl]oxymethyl phenyl carbonate

[[3-[2-(dimethylamino)ethyl]indol-1-yl]methoxy-(phenoxycarbonyloxymethoxy)phosphoryl]oxymethyl phenyl carbonate (PubChem CID 167307231) has the molecular formula C29H31N2O10P and a molecular weight of 598.55 g/mol. Its IUPAC name is [[3-[2-(dimethylamino)ethyl]indol-1-yl]methoxy-(phenoxycarbonyloxymethoxy)phosphoryl]oxymethyl phenyl carbonate.

Molecular Properties

Compound Name[[3-[2-(dimethylamino)ethyl]indol-1-yl]methoxy-(phenoxycarbonyloxymethoxy)phosphoryl]oxymethyl phenyl carbonate
PubChem CID167307231
Molecular FormulaC29H31N2O10P
Molecular Weight598.55 g/mol
Exact Mass598.17
IUPAC Name[[3-[2-(dimethylamino)ethyl]indol-1-yl]methoxy-(phenoxycarbonyloxymethoxy)phosphoryl]oxymethyl phenyl carbonate
SMILESCN(C)CCc1cn(COP(=O)(OCOC(=O)Oc2ccccc2)OCOC(=O)Oc2ccccc2)c2ccccc12
InChIInChI=1S/C29H31N2O10P/c1-30(2)18-17-23-19-31(27-16-10-9-15-26(23)27)20-37-42(34,38-21-35-28(32)40-24-11-5-3-6-12-24)39-22-36-29(33)41-25-13-7-4-8-14-25/h3-16,19H,17-18,20-22H2,1-2H3
InChIKeyOYVGUWQPHLHHQA-UHFFFAOYSA-N
XLogP6.21
TPSA123.99 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500598.55
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [[3-[2-(dimethylamino)ethyl]indol-1-yl]methoxy-(phenoxycarbonyloxymethoxy)phosphoryl]oxymethyl phenyl carbonate 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

[[3-[2-(dimethylamino)ethyl]indol-1-yl]methoxy-[(2-phenylacetyl)oxymethoxy]phosphoryl]oxymethyl 2-phenylacetate
CID 166467368
[[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate
CID 168837266
[[3-[2-(dimethylamino)ethyl]indol-1-yl]methoxy-[(1-propan-2-yl-4H-pyridine-3-carbonyl)oxymethoxy]phosphoryl]oxymethyl 1-propan-2-yl-4H-pyridine-3-carboxylate
CID 166467780
cyclohexyl [cyclohexyloxycarbonyloxymethoxy-[[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]methoxy]phosphoryl]oxymethyl carbonate
CID 168930996
[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]methyl diethyl phosphate
CID 168931152
2-(1-ethylindol-3-yl)-N,N-dimethylethanamine;formic acid
CID 166467492
ditert-butyl [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]methyl phosphate
CID 168931246
2-[1-[2-(dimethylamino)ethyl]indol-3-yl]ethanamine
CID 10421424
[[3-[2-(dimethylamino)ethyl]indol-1-yl]-[(1-methyl-4H-pyridine-3-carbonyl)oxymethoxy]phosphoryl]oxymethyl 1-methyl-4H-pyridine-3-carboxylate
CID 166467397
2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467171
2-[1-[bis(phenylmethoxy)phosphorylmethyl]indol-3-yl]-N,N-bis(trideuteriomethyl)ethanamine
CID 172854299
4-[1-[3-(dimethylamino)propyl]indol-3-yl]butanoic acid
CID 114525705

Frequently Asked Questions

What is the IUPAC name of [[3-[2-(dimethylamino)ethyl]indol-1-yl]methoxy-(phenoxycarbonyloxymethoxy)phosphoryl]oxymethyl phenyl carbonate?
The IUPAC name of [[3-[2-(dimethylamino)ethyl]indol-1-yl]methoxy-(phenoxycarbonyloxymethoxy)phosphoryl]oxymethyl phenyl carbonate (CID 167307231) is [[3-[2-(dimethylamino)ethyl]indol-1-yl]methoxy-(phenoxycarbonyloxymethoxy)phosphoryl]oxymethyl phenyl carbonate.
What is the SMILES notation for [[3-[2-(dimethylamino)ethyl]indol-1-yl]methoxy-(phenoxycarbonyloxymethoxy)phosphoryl]oxymethyl phenyl carbonate?
The canonical SMILES for [[3-[2-(dimethylamino)ethyl]indol-1-yl]methoxy-(phenoxycarbonyloxymethoxy)phosphoryl]oxymethyl phenyl carbonate is CN(C)CCc1cn(COP(=O)(OCOC(=O)Oc2ccccc2)OCOC(=O)Oc2ccccc2)c2ccccc12.
What is the InChIKey of [[3-[2-(dimethylamino)ethyl]indol-1-yl]methoxy-(phenoxycarbonyloxymethoxy)phosphoryl]oxymethyl phenyl carbonate?
The InChIKey is OYVGUWQPHLHHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N2O10P/c1-30(2)18-17-23-19-31(27-16-10-9-15-26(23)27)20-37-42(34,38-21-35-28(32)40-24-11-5-3-6-12-24)39-22-36-29(33)41-25-13-7-4-8-14-25/h3-16,19H,17-18,20-22H2,1-2H3.
What are the key properties of [[3-[2-(dimethylamino)ethyl]indol-1-yl]methoxy-(phenoxycarbonyloxymethoxy)phosphoryl]oxymethyl phenyl carbonate?
[[3-[2-(dimethylamino)ethyl]indol-1-yl]methoxy-(phenoxycarbonyloxymethoxy)phosphoryl]oxymethyl phenyl carbonate has a molecular weight of 598.55 g/mol, XLogP of 6.21, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-[2-(dimethylamino)ethyl]indol-1-yl]methoxy-(phenoxycarbonyloxymethoxy)phosphoryl]oxymethyl phenyl carbonate is sourced from PubChem (CID 167307231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).