ethyl 3,3-bis(1-methylindol-3-yl)propanoate

C23H24N2O2 — CID 11566677

IUPACethyl 3,3-bis(1-methylindol-3-yl)propanoate
SMILESCCOC(=O)CC(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12
InChIInChI=1S/C23H24N2O2/c1-4-27-23(26)13-18(19-14-24(2)21-11-7-5-9-16(19)21)20-15-25(3)22-12-8-6-10-17(20)22/h5-12,14-15,18H,4,13H2,1-3H3
InChIKeyJILLZUWMACRRES-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.76
Rot. Bonds5

About ethyl 3,3-bis(1-methylindol-3-yl)propanoate

ethyl 3,3-bis(1-methylindol-3-yl)propanoate (PubChem CID 11566677) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is ethyl 3,3-bis(1-methylindol-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 3,3-bis(1-methylindol-3-yl)propanoate
PubChem CID11566677
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Nameethyl 3,3-bis(1-methylindol-3-yl)propanoate
SMILESCCOC(=O)CC(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12
InChIInChI=1S/C23H24N2O2/c1-4-27-23(26)13-18(19-14-24(2)21-11-7-5-9-16(19)21)20-15-25(3)22-12-8-6-10-17(20)22/h5-12,14-15,18H,4,13H2,1-3H3
InChIKeyJILLZUWMACRRES-UHFFFAOYSA-N
XLogP4.76
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-3-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride
CID 171226492
triethyl (2R)-2-(1-methylindol-3-yl)ethane-1,1,2-tricarboxylate
CID 11696471
3-hydroxy-3-(1-methylindol-3-yl)propanoic acid
CID 130117642
ethyl 1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 42774746
ethyl 3-(1-methylindol-3-yl)-3-oxo-2-phenylpropanoate
CID 132558109
acetic acid;2-(1-methylindol-3-yl)-2-phenylethanamine
CID 75539416
1-methyl-3-[1-(1-methylindol-3-yl)butyl]indole
CID 22019303
(3R)-3-(1-methylindol-3-yl)-1-phenylbutan-1-one
CID 101252968
methyl (4S)-4-(1-methylindol-3-yl)-4-(4-methylphenyl)-2-oxobutanoate
CID 101458793
3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanoic acid
CID 3542496
methyl 2-(1-methylindol-3-yl)propanoate
CID 11117483
ethyl 1-[3-(1-methylindol-3-yl)-3-(4-methylphenyl)propanoyl]piperidine-3-carboxylate
CID 24717643

Frequently Asked Questions

What is the IUPAC name of ethyl 3,3-bis(1-methylindol-3-yl)propanoate?
The IUPAC name of ethyl 3,3-bis(1-methylindol-3-yl)propanoate (CID 11566677) is ethyl 3,3-bis(1-methylindol-3-yl)propanoate.
What is the SMILES notation for ethyl 3,3-bis(1-methylindol-3-yl)propanoate?
The canonical SMILES for ethyl 3,3-bis(1-methylindol-3-yl)propanoate is CCOC(=O)CC(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12.
What is the InChIKey of ethyl 3,3-bis(1-methylindol-3-yl)propanoate?
The InChIKey is JILLZUWMACRRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-4-27-23(26)13-18(19-14-24(2)21-11-7-5-9-16(19)21)20-15-25(3)22-12-8-6-10-17(20)22/h5-12,14-15,18H,4,13H2,1-3H3.
What are the key properties of ethyl 3,3-bis(1-methylindol-3-yl)propanoate?
ethyl 3,3-bis(1-methylindol-3-yl)propanoate has a molecular weight of 360.46 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3-bis(1-methylindol-3-yl)propanoate is sourced from PubChem (CID 11566677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).