(2S)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide

C24H25N3O3 — CID 75492170

IUPAC(2S)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCCC3NC(=O)[C@H](C)N1Cc2ccccc2C1=O
InChIInChI=1S/C24H25N3O3/c1-14(27-13-15-6-3-4-7-17(15)24(27)29)23(28)26-21-9-5-8-18-19-12-16(30-2)10-11-20(19)25-22(18)21/h3-4,6-7,10-12,14,21,25H,5,8-9,13H2,1-2H3,(H,26,28)/t14-,21?/m0/s1
InChIKeyDGALXXOYKRHPIR-YXWRBFHGSA-N
MW403.48 g/mol
LogP3.71
Rot. Bonds4

About (2S)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide

(2S)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide (PubChem CID 75492170) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is (2S)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
PubChem CID75492170
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name(2S)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCCC3NC(=O)[C@H](C)N1Cc2ccccc2C1=O
InChIInChI=1S/C24H25N3O3/c1-14(27-13-15-6-3-4-7-17(15)24(27)29)23(28)26-21-9-5-8-18-19-12-16(30-2)10-11-20(19)25-22(18)21/h3-4,6-7,10-12,14,21,25H,5,8-9,13H2,1-2H3,(H,26,28)/t14-,21?/m0/s1
InChIKeyDGALXXOYKRHPIR-YXWRBFHGSA-N
XLogP3.71
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The IUPAC name of (2S)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide (CID 75492170) is (2S)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide.
What is the SMILES notation for (2S)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The canonical SMILES for (2S)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide is COc1ccc2[nH]c3c(c2c1)CCCC3NC(=O)[C@H](C)N1Cc2ccccc2C1=O.
What is the InChIKey of (2S)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The InChIKey is DGALXXOYKRHPIR-YXWRBFHGSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-14(27-13-15-6-3-4-7-17(15)24(27)29)23(28)26-21-9-5-8-18-19-12-16(30-2)10-11-20(19)25-22(18)21/h3-4,6-7,10-12,14,21,25H,5,8-9,13H2,1-2H3,(H,26,28)/t14-,21?/m0/s1.
What are the key properties of (2S)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide?
(2S)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide has a molecular weight of 403.48 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide is sourced from PubChem (CID 75492170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).