N-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C21H22N2O3 — CID 34985328

IUPACN-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCOc1cc(NC(=O)c2cccc3c4c([nH]c23)CCCC4)cc(OC)c1
InChIInChI=1S/C21H22N2O3/c1-25-14-10-13(11-15(12-14)26-2)22-21(24)18-8-5-7-17-16-6-3-4-9-19(16)23-20(17)18/h5,7-8,10-12,23H,3-4,6,9H2,1-2H3,(H,22,24)
InChIKeyPDLGBQMLDFKVAQ-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.32
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

N-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 34985328) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID34985328
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCOc1cc(NC(=O)c2cccc3c4c([nH]c23)CCCC4)cc(OC)c1
InChIInChI=1S/C21H22N2O3/c1-25-14-10-13(11-15(12-14)26-2)22-21(24)18-8-5-7-17-16-6-3-4-9-19(16)23-20(17)18/h5,7-8,10-12,23H,3-4,6,9H2,1-2H3,(H,22,24)
InChIKeyPDLGBQMLDFKVAQ-UHFFFAOYSA-N
XLogP4.32
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.32
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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Related Compounds

N-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 34979408
N-(6-methoxy-3-pyridinyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 34977108
methyl 2-[3-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonylamino)phenoxy]acetate
CID 46416882
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 33230329
N-(3-chloro-4-methoxyphenyl)-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-5-carboxamide
CID 46267699
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55644369
N-[2-(2-methylpropanoylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46581679
2-(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonylamino)propanoic acid
CID 23498614
N-(3,5-dimethoxyphenyl)-2-methylbenzamide
CID 9096893
N-(3-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 98000866
N-[[3-(2-methylbutanoylamino)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55868770
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 146040309

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 34985328) is N-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is COc1cc(NC(=O)c2cccc3c4c([nH]c23)CCCC4)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is PDLGBQMLDFKVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-25-14-10-13(11-15(12-14)26-2)22-21(24)18-8-5-7-17-16-6-3-4-9-19(16)23-20(17)18/h5,7-8,10-12,23H,3-4,6,9H2,1-2H3,(H,22,24).
What are the key properties of N-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
N-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 34985328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).