2-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide

C24H25N3O3 — CID 97497081

IUPAC2-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)Cn1ccc2c(OC)cccc21
InChIInChI=1S/C24H25N3O3/c1-29-15-9-10-19-18(13-15)16-5-3-6-20(24(16)26-19)25-23(28)14-27-12-11-17-21(27)7-4-8-22(17)30-2/h4,7-13,20,26H,3,5-6,14H2,1-2H3,(H,25,28)/t20-/m0/s1
InChIKeyUUCSWVUSCUBNIA-FQEVSTJZSA-N
MW403.48 g/mol
LogP4.33
Rot. Bonds5

About 2-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide

2-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide (PubChem CID 97497081) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
PubChem CID97497081
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name2-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)Cn1ccc2c(OC)cccc21
InChIInChI=1S/C24H25N3O3/c1-29-15-9-10-19-18(13-15)16-5-3-6-20(24(16)26-19)25-23(28)14-27-12-11-17-21(27)7-4-8-22(17)30-2/h4,7-13,20,26H,3,5-6,14H2,1-2H3,(H,25,28)/t20-/m0/s1
InChIKeyUUCSWVUSCUBNIA-FQEVSTJZSA-N
XLogP4.33
TPSA68.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide
CID 97489350
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-phenylacetamide
CID 97487908
N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 99995344
4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide
CID 110208093
N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-(10-oxo-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)acetamide
CID 124849247
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide
CID 97489146
N-[2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]-2-oxoethyl]benzamide
CID 124877959
2-[4-(methanesulfonamido)indol-1-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 126418283
1-benzyl-3-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]urea
CID 125122907
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 75489861
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(tetrazol-1-yl)benzamide
CID 91820905
3-(3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide
CID 110204955

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
The IUPAC name of 2-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide (CID 97497081) is 2-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
The canonical SMILES for 2-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide is COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)Cn1ccc2c(OC)cccc21.
What is the InChIKey of 2-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
The InChIKey is UUCSWVUSCUBNIA-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-29-15-9-10-19-18(13-15)16-5-3-6-20(24(16)26-19)25-23(28)14-27-12-11-17-21(27)7-4-8-22(17)30-2/h4,7-13,20,26H,3,5-6,14H2,1-2H3,(H,25,28)/t20-/m0/s1.
What are the key properties of 2-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
2-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide has a molecular weight of 403.48 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide is sourced from PubChem (CID 97497081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).