6-amino-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]bicyclo[3.2.0]heptane-3-carboxamide

C19H25N3O2 — CID 154772694

IUPAC6-amino-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]bicyclo[3.2.0]heptane-3-carboxamide
SMILESCOc1cccc2[nH]cc(CCNC(=O)C3CC4CC(N)C4C3)c12
InChIInChI=1S/C19H25N3O2/c1-24-17-4-2-3-16-18(17)11(10-22-16)5-6-21-19(23)13-7-12-9-15(20)14(12)8-13/h2-4,10,12-15,22H,5-9,20H2,1H3,(H,21,23)
InChIKeyDUAIGCHXMMFDES-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.21
Rot. Bonds5

About 6-amino-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]bicyclo[3.2.0]heptane-3-carboxamide

6-amino-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]bicyclo[3.2.0]heptane-3-carboxamide (PubChem CID 154772694) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 6-amino-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]bicyclo[3.2.0]heptane-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]bicyclo[3.2.0]heptane-3-carboxamide
PubChem CID154772694
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name6-amino-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]bicyclo[3.2.0]heptane-3-carboxamide
SMILESCOc1cccc2[nH]cc(CCNC(=O)C3CC4CC(N)C4C3)c12
InChIInChI=1S/C19H25N3O2/c1-24-17-4-2-3-16-18(17)11(10-22-16)5-6-21-19(23)13-7-12-9-15(20)14(12)8-13/h2-4,10,12-15,22H,5-9,20H2,1H3,(H,21,23)
InChIKeyDUAIGCHXMMFDES-UHFFFAOYSA-N
XLogP2.21
TPSA80.14 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 ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-amino-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]bicyclo[3.2.0]heptane-3-carboxamide with MolForge

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Related Compounds

2-hydroxy-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 110003288
N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-2-azaspiro[3.4]octane-3-carboxamide
CID 154785065
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
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
3-[2-(4-methoxy-1H-indol-3-yl)ethyl]-1-methyl-1-(thiolan-3-yl)urea
CID 84597587
3-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119774512
(1R,2R,4S,5S)-4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.1.0]hexane-2-carboxamide
CID 138011123
N-[2-[4-(hydroxymethyl)phenyl]ethyl]-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110009904
N-(3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005848

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]bicyclo[3.2.0]heptane-3-carboxamide?
The IUPAC name of 6-amino-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]bicyclo[3.2.0]heptane-3-carboxamide (CID 154772694) is 6-amino-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]bicyclo[3.2.0]heptane-3-carboxamide.
What is the SMILES notation for 6-amino-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]bicyclo[3.2.0]heptane-3-carboxamide?
The canonical SMILES for 6-amino-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]bicyclo[3.2.0]heptane-3-carboxamide is COc1cccc2[nH]cc(CCNC(=O)C3CC4CC(N)C4C3)c12.
What is the InChIKey of 6-amino-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]bicyclo[3.2.0]heptane-3-carboxamide?
The InChIKey is DUAIGCHXMMFDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-24-17-4-2-3-16-18(17)11(10-22-16)5-6-21-19(23)13-7-12-9-15(20)14(12)8-13/h2-4,10,12-15,22H,5-9,20H2,1H3,(H,21,23).
What are the key properties of 6-amino-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]bicyclo[3.2.0]heptane-3-carboxamide?
6-amino-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]bicyclo[3.2.0]heptane-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]bicyclo[3.2.0]heptane-3-carboxamide is sourced from PubChem (CID 154772694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).