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

C25H27N3O3 — CID 97489350

IUPAC3-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCn1ccc2c(OC)cccc21
InChIInChI=1S/C25H27N3O3/c1-30-16-9-10-20-19(15-16)17-5-3-6-21(25(17)27-20)26-24(29)12-14-28-13-11-18-22(28)7-4-8-23(18)31-2/h4,7-11,13,15,21,27H,3,5-6,12,14H2,1-2H3,(H,26,29)/t21-/m0/s1
InChIKeyBFKKJPDLTVQJCK-NRFANRHFSA-N
MW417.51 g/mol
LogP4.72
Rot. Bonds6

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

3-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide (PubChem CID 97489350) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide
PubChem CID97489350
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name3-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCn1ccc2c(OC)cccc21
InChIInChI=1S/C25H27N3O3/c1-30-16-9-10-20-19(15-16)17-5-3-6-21(25(17)27-20)26-24(29)12-14-28-13-11-18-22(28)7-4-8-23(18)31-2/h4,7-11,13,15,21,27H,3,5-6,12,14H2,1-2H3,(H,26,29)/t21-/m0/s1
InChIKeyBFKKJPDLTVQJCK-NRFANRHFSA-N
XLogP4.72
TPSA68.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.72
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

2-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97497081
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide
CID 97489146
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
3-(3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide
CID 110204955
N-[2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]-2-oxoethyl]benzamide
CID 124877959
1-benzyl-3-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]urea
CID 125122907
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pentanamide
CID 124875372
(3R)-N-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125124207
5-[(3R)-dithiolan-3-yl]-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pentanamide
CID 110206472
6-methoxy-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1-methylindole-2-carboxamide
CID 125121929

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide?
The IUPAC name of 3-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide (CID 97489350) is 3-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide.
What is the SMILES notation for 3-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide?
The canonical SMILES for 3-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide is COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCn1ccc2c(OC)cccc21.
What is the InChIKey of 3-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide?
The InChIKey is BFKKJPDLTVQJCK-NRFANRHFSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-30-16-9-10-20-19(15-16)17-5-3-6-21(25(17)27-20)26-24(29)12-14-28-13-11-18-22(28)7-4-8-23(18)31-2/h4,7-11,13,15,21,27H,3,5-6,12,14H2,1-2H3,(H,26,29)/t21-/m0/s1.
What are the key properties of 3-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide?
3-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide has a molecular weight of 417.51 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyindol-1-yl)-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide is sourced from PubChem (CID 97489350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).