1-[(3,5-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-4-carbohydrazide

C22H25N3O3 — CID 140998432

IUPAC1-[(3,5-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-4-carbohydrazide
SMILESCOc1cc(CC2CCC(C(=O)NN)c3c2[nH]c2ccccc32)cc(OC)c1
InChIInChI=1S/C22H25N3O3/c1-27-15-10-13(11-16(12-15)28-2)9-14-7-8-18(22(26)25-23)20-17-5-3-4-6-19(17)24-21(14)20/h3-6,10-12,14,18,24H,7-9,23H2,1-2H3,(H,25,26)
InChIKeyPJKLOIOMWMTOJW-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.38
Rot. Bonds5

About 1-[(3,5-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-4-carbohydrazide

1-[(3,5-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-4-carbohydrazide (PubChem CID 140998432) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[(3,5-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[(3,5-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-4-carbohydrazide
PubChem CID140998432
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name1-[(3,5-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-4-carbohydrazide
SMILESCOc1cc(CC2CCC(C(=O)NN)c3c2[nH]c2ccccc32)cc(OC)c1
InChIInChI=1S/C22H25N3O3/c1-27-15-10-13(11-16(12-15)28-2)9-14-7-8-18(22(26)25-23)20-17-5-3-4-6-19(17)24-21(14)20/h3-6,10-12,14,18,24H,7-9,23H2,1-2H3,(H,25,26)
InChIKeyPJKLOIOMWMTOJW-UHFFFAOYSA-N
XLogP3.38
TPSA89.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-4-carbohydrazide?
The IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-4-carbohydrazide (CID 140998432) is 1-[(3,5-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-4-carbohydrazide.
What is the SMILES notation for 1-[(3,5-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-4-carbohydrazide?
The canonical SMILES for 1-[(3,5-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-4-carbohydrazide is COc1cc(CC2CCC(C(=O)NN)c3c2[nH]c2ccccc32)cc(OC)c1.
What is the InChIKey of 1-[(3,5-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-4-carbohydrazide?
The InChIKey is PJKLOIOMWMTOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-27-15-10-13(11-16(12-15)28-2)9-14-7-8-18(22(26)25-23)20-17-5-3-4-6-19(17)24-21(14)20/h3-6,10-12,14,18,24H,7-9,23H2,1-2H3,(H,25,26).
What are the key properties of 1-[(3,5-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-4-carbohydrazide?
1-[(3,5-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-4-carbohydrazide has a molecular weight of 379.46 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-4-carbohydrazide is sourced from PubChem (CID 140998432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).