methyl 6-methoxy-2-oxo-4a-(2-phenylmethoxyethyl)carbazole-9-carboxylate

C24H23NO5 — CID 132967340

IUPACmethyl 6-methoxy-2-oxo-4a-(2-phenylmethoxyethyl)carbazole-9-carboxylate
SMILESCOC(=O)N1C2=CC(=O)C=CC2(CCOCc2ccccc2)c2cc(OC)ccc21
InChIInChI=1S/C24H23NO5/c1-28-19-8-9-21-20(15-19)24(12-13-30-16-17-6-4-3-5-7-17)11-10-18(26)14-22(24)25(21)23(27)29-2/h3-11,14-15H,12-13,16H2,1-2H3
InChIKeyXBTLAGQBORMDKL-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.15
Rot. Bonds6

About methyl 6-methoxy-2-oxo-4a-(2-phenylmethoxyethyl)carbazole-9-carboxylate

methyl 6-methoxy-2-oxo-4a-(2-phenylmethoxyethyl)carbazole-9-carboxylate (PubChem CID 132967340) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is methyl 6-methoxy-2-oxo-4a-(2-phenylmethoxyethyl)carbazole-9-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-2-oxo-4a-(2-phenylmethoxyethyl)carbazole-9-carboxylate
PubChem CID132967340
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Namemethyl 6-methoxy-2-oxo-4a-(2-phenylmethoxyethyl)carbazole-9-carboxylate
SMILESCOC(=O)N1C2=CC(=O)C=CC2(CCOCc2ccccc2)c2cc(OC)ccc21
InChIInChI=1S/C24H23NO5/c1-28-19-8-9-21-20(15-19)24(12-13-30-16-17-6-4-3-5-7-17)11-10-18(26)14-22(24)25(21)23(27)29-2/h3-11,14-15H,12-13,16H2,1-2H3
InChIKeyXBTLAGQBORMDKL-UHFFFAOYSA-N
XLogP4.15
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (1R,9S,10S)-6-methoxy-12-oxo-9-(2-phenylmethoxyethyl)-2-azatetracyclo[7.5.0.01,10.03,8]tetradeca-3(8),4,6-triene-2-carboxylate
CID 102223717
3-acetyl-1,3-dibenzyl-5-methoxyindol-2-one
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1-benzyl-6-methoxy-3,3-dimethylindol-2-one
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(3S)-1-benzyl-3-hydroxy-6-methoxy-3-phenacylindol-2-one
CID 72697841
(3R)-4-(2-ethyl-5-methoxyphenyl)-1,2,3-trimethyl-4-(2-phenylmethoxyethyl)piperidine
CID 145047282
benzyl 2-iodo-5-methoxybenzoate
CID 172646545
4-methoxy-2-[(2-phenylacetyl)amino]benzoic acid
CID 115411059
2-bromo-5-methoxy-N-phenylmethoxybenzamide
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CID 59082883

Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-2-oxo-4a-(2-phenylmethoxyethyl)carbazole-9-carboxylate?
The IUPAC name of methyl 6-methoxy-2-oxo-4a-(2-phenylmethoxyethyl)carbazole-9-carboxylate (CID 132967340) is methyl 6-methoxy-2-oxo-4a-(2-phenylmethoxyethyl)carbazole-9-carboxylate.
What is the SMILES notation for methyl 6-methoxy-2-oxo-4a-(2-phenylmethoxyethyl)carbazole-9-carboxylate?
The canonical SMILES for methyl 6-methoxy-2-oxo-4a-(2-phenylmethoxyethyl)carbazole-9-carboxylate is COC(=O)N1C2=CC(=O)C=CC2(CCOCc2ccccc2)c2cc(OC)ccc21.
What is the InChIKey of methyl 6-methoxy-2-oxo-4a-(2-phenylmethoxyethyl)carbazole-9-carboxylate?
The InChIKey is XBTLAGQBORMDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c1-28-19-8-9-21-20(15-19)24(12-13-30-16-17-6-4-3-5-7-17)11-10-18(26)14-22(24)25(21)23(27)29-2/h3-11,14-15H,12-13,16H2,1-2H3.
What are the key properties of methyl 6-methoxy-2-oxo-4a-(2-phenylmethoxyethyl)carbazole-9-carboxylate?
methyl 6-methoxy-2-oxo-4a-(2-phenylmethoxyethyl)carbazole-9-carboxylate has a molecular weight of 405.45 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-2-oxo-4a-(2-phenylmethoxyethyl)carbazole-9-carboxylate is sourced from PubChem (CID 132967340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).