benzyl 2,2-dimethyl-4-morpholin-4-yl-3H-indole-1-carboxylate

C22H26N2O3 — CID 138967234

IUPACbenzyl 2,2-dimethyl-4-morpholin-4-yl-3H-indole-1-carboxylate
SMILESCC1(C)Cc2c(N3CCOCC3)cccc2N1C(=O)OCc1ccccc1
InChIInChI=1S/C22H26N2O3/c1-22(2)15-18-19(23-11-13-26-14-12-23)9-6-10-20(18)24(22)21(25)27-16-17-7-4-3-5-8-17/h3-10H,11-16H2,1-2H3
InChIKeyFPLCTCQPUCLNFL-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.00
Rot. Bonds3

About benzyl 2,2-dimethyl-4-morpholin-4-yl-3H-indole-1-carboxylate

benzyl 2,2-dimethyl-4-morpholin-4-yl-3H-indole-1-carboxylate (PubChem CID 138967234) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is benzyl 2,2-dimethyl-4-morpholin-4-yl-3H-indole-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2,2-dimethyl-4-morpholin-4-yl-3H-indole-1-carboxylate
PubChem CID138967234
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Namebenzyl 2,2-dimethyl-4-morpholin-4-yl-3H-indole-1-carboxylate
SMILESCC1(C)Cc2c(N3CCOCC3)cccc2N1C(=O)OCc1ccccc1
InChIInChI=1S/C22H26N2O3/c1-22(2)15-18-19(23-11-13-26-14-12-23)9-6-10-20(18)24(22)21(25)27-16-17-7-4-3-5-8-17/h3-10H,11-16H2,1-2H3
InChIKeyFPLCTCQPUCLNFL-UHFFFAOYSA-N
XLogP4.00
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 2,2-dimethyl-4-morpholin-4-yl-3H-indole-1-carboxylate?
The IUPAC name of benzyl 2,2-dimethyl-4-morpholin-4-yl-3H-indole-1-carboxylate (CID 138967234) is benzyl 2,2-dimethyl-4-morpholin-4-yl-3H-indole-1-carboxylate.
What is the SMILES notation for benzyl 2,2-dimethyl-4-morpholin-4-yl-3H-indole-1-carboxylate?
The canonical SMILES for benzyl 2,2-dimethyl-4-morpholin-4-yl-3H-indole-1-carboxylate is CC1(C)Cc2c(N3CCOCC3)cccc2N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2,2-dimethyl-4-morpholin-4-yl-3H-indole-1-carboxylate?
The InChIKey is FPLCTCQPUCLNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-22(2)15-18-19(23-11-13-26-14-12-23)9-6-10-20(18)24(22)21(25)27-16-17-7-4-3-5-8-17/h3-10H,11-16H2,1-2H3.
What are the key properties of benzyl 2,2-dimethyl-4-morpholin-4-yl-3H-indole-1-carboxylate?
benzyl 2,2-dimethyl-4-morpholin-4-yl-3H-indole-1-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,2-dimethyl-4-morpholin-4-yl-3H-indole-1-carboxylate is sourced from PubChem (CID 138967234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).