3-(hydroxymethyl)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide

C17H23N3O3 — CID 84597590

IUPAC3-(hydroxymethyl)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCOc1cccc2[nH]cc(CCNC(=O)N3CCC(CO)C3)c12
InChIInChI=1S/C17H23N3O3/c1-23-15-4-2-3-14-16(15)13(9-19-14)5-7-18-17(22)20-8-6-12(10-20)11-21/h2-4,9,12,19,21H,5-8,10-11H2,1H3,(H,18,22)
InChIKeyDSEZTCNWIGWNTG-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.74
Rot. Bonds5

About 3-(hydroxymethyl)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide

3-(hydroxymethyl)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 84597590) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide
PubChem CID84597590
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-(hydroxymethyl)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCOc1cccc2[nH]cc(CCNC(=O)N3CCC(CO)C3)c12
InChIInChI=1S/C17H23N3O3/c1-23-15-4-2-3-14-16(15)13(9-19-14)5-7-18-17(22)20-8-6-12(10-20)11-21/h2-4,9,12,19,21H,5-8,10-11H2,1H3,(H,18,22)
InChIKeyDSEZTCNWIGWNTG-UHFFFAOYSA-N
XLogP1.74
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 111444019
2-hydroxy-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 110003288
(3R)-N-[2-(4-ethoxy-1H-indol-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 124852502
1-[(3-hydroxycyclohexyl)methyl]-3-[2-(4-methoxy-1H-indol-3-yl)ethyl]urea
CID 110013344
1-(1-hydroxypropan-2-yl)-3-[2-(4-methoxy-1H-indol-3-yl)ethyl]urea
CID 110013288
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111508554
3-[2-(4-methoxy-1H-indol-3-yl)ethyl]-1-methyl-1-(thiolan-3-yl)urea
CID 84597587
(3S)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 100710098
N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-2-azaspiro[3.4]octane-3-carboxamide
CID 154785065
1-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-[(1S,6R,7R)-2-oxabicyclo[4.2.0]octan-7-yl]urea
CID 129399452
1-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-[(1S,6S,7R)-2-oxabicyclo[4.2.0]octan-7-yl]urea
CID 99857361
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 55457795

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide (CID 84597590) is 3-(hydroxymethyl)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide is COc1cccc2[nH]cc(CCNC(=O)N3CCC(CO)C3)c12.
What is the InChIKey of 3-(hydroxymethyl)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is DSEZTCNWIGWNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-23-15-4-2-3-14-16(15)13(9-19-14)5-7-18-17(22)20-8-6-12(10-20)11-21/h2-4,9,12,19,21H,5-8,10-11H2,1H3,(H,18,22).
What are the key properties of 3-(hydroxymethyl)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide?
3-(hydroxymethyl)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 84597590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).