N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide

C22H29N3O3 — CID 91925467

IUPACN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)C3N(C(C)C)C(=O)C34CCCC4)c2c1
InChIInChI=1S/C22H29N3O3/c1-14(2)25-19(22(21(25)27)9-4-5-10-22)20(26)23-11-8-15-13-24-18-7-6-16(28-3)12-17(15)18/h6-7,12-14,19,24H,4-5,8-11H2,1-3H3,(H,23,26)
InChIKeyJPDMXLUPJONKRH-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.01
Rot. Bonds6

About N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide (PubChem CID 91925467) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide
PubChem CID91925467
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)C3N(C(C)C)C(=O)C34CCCC4)c2c1
InChIInChI=1S/C22H29N3O3/c1-14(2)25-19(22(21(25)27)9-4-5-10-22)20(26)23-11-8-15-13-24-18-7-6-16(28-3)12-17(15)18/h6-7,12-14,19,24H,4-5,8-11H2,1-3H3,(H,23,26)
InChIKeyJPDMXLUPJONKRH-UHFFFAOYSA-N
XLogP3.01
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 174776187
[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate
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CID 142888234
1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 18947306
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CID 2988177
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 16649057
3-cyclopentyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 18947319
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
(3R)-1-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 7337211
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide (CID 91925467) is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide is COc1ccc2[nH]cc(CCNC(=O)C3N(C(C)C)C(=O)C34CCCC4)c2c1.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide?
The InChIKey is JPDMXLUPJONKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-14(2)25-19(22(21(25)27)9-4-5-10-22)20(26)23-11-8-15-13-24-18-7-6-16(28-3)12-17(15)18/h6-7,12-14,19,24H,4-5,8-11H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide?
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide is sourced from PubChem (CID 91925467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).