N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-(5-methoxyindol-1-yl)acetamide

C19H22N2O2 — CID 99794235

IUPACN-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-(5-methoxyindol-1-yl)acetamide
SMILESCOc1ccc2c(ccn2CC(=O)NC[C@@H]2C[C@@H]3C=C[C@@H]2C3)c1
InChIInChI=1S/C19H22N2O2/c1-23-17-4-5-18-15(10-17)6-7-21(18)12-19(22)20-11-16-9-13-2-3-14(16)8-13/h2-7,10,13-14,16H,8-9,11-12H2,1H3,(H,20,22)/t13-,14-,16+/m1/s1
InChIKeyDJPMZRBXISOHDD-FMKPAKJESA-N
MW310.40 g/mol
LogP2.98
Rot. Bonds5

About N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-(5-methoxyindol-1-yl)acetamide

N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-(5-methoxyindol-1-yl)acetamide (PubChem CID 99794235) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-(5-methoxyindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-(5-methoxyindol-1-yl)acetamide
PubChem CID99794235
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-(5-methoxyindol-1-yl)acetamide
SMILESCOc1ccc2c(ccn2CC(=O)NC[C@@H]2C[C@@H]3C=C[C@@H]2C3)c1
InChIInChI=1S/C19H22N2O2/c1-23-17-4-5-18-15(10-17)6-7-21(18)12-19(22)20-11-16-9-13-2-3-14(16)8-13/h2-7,10,13-14,16H,8-9,11-12H2,1H3,(H,20,22)/t13-,14-,16+/m1/s1
InChIKeyDJPMZRBXISOHDD-FMKPAKJESA-N
XLogP2.98
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(5-methoxyindol-1-yl)acetamide
CID 71753916
2-(5-methoxyindol-1-yl)-N-prop-2-ynylacetamide
CID 115582181
N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 99731838
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124861754
N-(cyclopropylmethyl)-2-(5-ethoxyindol-1-yl)acetamide
CID 116624063
N-tert-butyl-2-(5-methoxyindol-1-yl)acetamide
CID 115582184
N-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 99731832
N-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylindole-5-carboxamide
CID 99794880
N-(4-hydroxy-2-methylpentyl)-2-(5-methoxyindol-1-yl)acetamide
CID 111447043
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dimethoxyaniline
CID 43758056
N-(2-hydroxy-2-phenylpropyl)-2-(5-methoxyindol-1-yl)acetamide
CID 111335212
(2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]propanoic acid
CID 39377928

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-(5-methoxyindol-1-yl)acetamide?
The IUPAC name of N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-(5-methoxyindol-1-yl)acetamide (CID 99794235) is N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-(5-methoxyindol-1-yl)acetamide.
What is the SMILES notation for N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-(5-methoxyindol-1-yl)acetamide?
The canonical SMILES for N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-(5-methoxyindol-1-yl)acetamide is COc1ccc2c(ccn2CC(=O)NC[C@@H]2C[C@@H]3C=C[C@@H]2C3)c1.
What is the InChIKey of N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-(5-methoxyindol-1-yl)acetamide?
The InChIKey is DJPMZRBXISOHDD-FMKPAKJESA-N. The full InChI is InChI=1S/C19H22N2O2/c1-23-17-4-5-18-15(10-17)6-7-21(18)12-19(22)20-11-16-9-13-2-3-14(16)8-13/h2-7,10,13-14,16H,8-9,11-12H2,1H3,(H,20,22)/t13-,14-,16+/m1/s1.
What are the key properties of N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-(5-methoxyindol-1-yl)acetamide?
N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-(5-methoxyindol-1-yl)acetamide has a molecular weight of 310.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-(5-methoxyindol-1-yl)acetamide is sourced from PubChem (CID 99794235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).