(1-methylazetidine-3-carbonyl)oxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate

C19H25N3O4 — CID 166467441

IUPAC(1-methylazetidine-3-carbonyl)oxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
SMILESCN(C)CCc1cn(C(=O)OCOC(=O)C2CN(C)C2)c2ccccc12
InChIInChI=1S/C19H25N3O4/c1-20(2)9-8-14-12-22(17-7-5-4-6-16(14)17)19(24)26-13-25-18(23)15-10-21(3)11-15/h4-7,12,15H,8-11,13H2,1-3H3
InChIKeyRAQWFBSEFRARTN-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.79
Rot. Bonds6

About (1-methylazetidine-3-carbonyl)oxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate

(1-methylazetidine-3-carbonyl)oxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate (PubChem CID 166467441) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is (1-methylazetidine-3-carbonyl)oxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate.

Molecular Properties

Compound Name(1-methylazetidine-3-carbonyl)oxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
PubChem CID166467441
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name(1-methylazetidine-3-carbonyl)oxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
SMILESCN(C)CCc1cn(C(=O)OCOC(=O)C2CN(C)C2)c2ccccc12
InChIInChI=1S/C19H25N3O4/c1-20(2)9-8-14-12-22(17-7-5-4-6-16(14)17)19(24)26-13-25-18(23)15-10-21(3)11-15/h4-7,12,15H,8-11,13H2,1-3H3
InChIKeyRAQWFBSEFRARTN-UHFFFAOYSA-N
XLogP1.79
TPSA64.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methylazetidine-3-carbonyl)oxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate?
The IUPAC name of (1-methylazetidine-3-carbonyl)oxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate (CID 166467441) is (1-methylazetidine-3-carbonyl)oxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate.
What is the SMILES notation for (1-methylazetidine-3-carbonyl)oxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate?
The canonical SMILES for (1-methylazetidine-3-carbonyl)oxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate is CN(C)CCc1cn(C(=O)OCOC(=O)C2CN(C)C2)c2ccccc12.
What is the InChIKey of (1-methylazetidine-3-carbonyl)oxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate?
The InChIKey is RAQWFBSEFRARTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-20(2)9-8-14-12-22(17-7-5-4-6-16(14)17)19(24)26-13-25-18(23)15-10-21(3)11-15/h4-7,12,15H,8-11,13H2,1-3H3.
What are the key properties of (1-methylazetidine-3-carbonyl)oxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate?
(1-methylazetidine-3-carbonyl)oxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylazetidine-3-carbonyl)oxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate is sourced from PubChem (CID 166467441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).