N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-2-azaspiro[3.4]octane-3-carboxamide

C19H25N3O2 — CID 154785065

IUPACN-[2-(4-methoxy-1H-indol-3-yl)ethyl]-2-azaspiro[3.4]octane-3-carboxamide
SMILESCOc1cccc2[nH]cc(CCNC(=O)C3NCC34CCCC4)c12
InChIInChI=1S/C19H25N3O2/c1-24-15-6-4-5-14-16(15)13(11-21-14)7-10-20-18(23)17-19(12-22-17)8-2-3-9-19/h4-6,11,17,21-22H,2-3,7-10,12H2,1H3,(H,20,23)
InChIKeyNPNDANAPXCHAAQ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.37
Rot. Bonds5

About N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-2-azaspiro[3.4]octane-3-carboxamide

N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-2-azaspiro[3.4]octane-3-carboxamide (PubChem CID 154785065) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-2-azaspiro[3.4]octane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxy-1H-indol-3-yl)ethyl]-2-azaspiro[3.4]octane-3-carboxamide
PubChem CID154785065
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[2-(4-methoxy-1H-indol-3-yl)ethyl]-2-azaspiro[3.4]octane-3-carboxamide
SMILESCOc1cccc2[nH]cc(CCNC(=O)C3NCC34CCCC4)c12
InChIInChI=1S/C19H25N3O2/c1-24-15-6-4-5-14-16(15)13(11-21-14)7-10-20-18(23)17-19(12-22-17)8-2-3-9-19/h4-6,11,17,21-22H,2-3,7-10,12H2,1H3,(H,20,23)
InChIKeyNPNDANAPXCHAAQ-UHFFFAOYSA-N
XLogP2.37
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 110003288
6-amino-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]bicyclo[3.2.0]heptane-3-carboxamide
CID 154772694
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
3-(hydroxymethyl)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 84597590
N-[2-[4-(hydroxymethyl)phenyl]ethyl]-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110009904
3-[2-(4-methoxy-1H-indol-3-yl)ethyl]-1-methyl-1-(thiolan-3-yl)urea
CID 84597587
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
1-hydroxy-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 110932725
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 119318274
N-(3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005848

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-2-azaspiro[3.4]octane-3-carboxamide?
The IUPAC name of N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-2-azaspiro[3.4]octane-3-carboxamide (CID 154785065) is N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-2-azaspiro[3.4]octane-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-2-azaspiro[3.4]octane-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-2-azaspiro[3.4]octane-3-carboxamide is COc1cccc2[nH]cc(CCNC(=O)C3NCC34CCCC4)c12.
What is the InChIKey of N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-2-azaspiro[3.4]octane-3-carboxamide?
The InChIKey is NPNDANAPXCHAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-24-15-6-4-5-14-16(15)13(11-21-14)7-10-20-18(23)17-19(12-22-17)8-2-3-9-19/h4-6,11,17,21-22H,2-3,7-10,12H2,1H3,(H,20,23).
What are the key properties of N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-2-azaspiro[3.4]octane-3-carboxamide?
N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-2-azaspiro[3.4]octane-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-2-azaspiro[3.4]octane-3-carboxamide is sourced from PubChem (CID 154785065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).