N-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C22H24N2O4 — CID 34979408

IUPACN-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCOc1cc(NC(=O)c2cccc3c4c([nH]c23)CCCC4)cc(OC)c1OC
InChIInChI=1S/C22H24N2O4/c1-26-18-11-13(12-19(27-2)21(18)28-3)23-22(25)16-9-6-8-15-14-7-4-5-10-17(14)24-20(15)16/h6,8-9,11-12,24H,4-5,7,10H2,1-3H3,(H,23,25)
InChIKeyCZLMICXNZMTRKX-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.32
Rot. Bonds5

About N-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

N-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 34979408) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound NameN-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID34979408
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCOc1cc(NC(=O)c2cccc3c4c([nH]c23)CCCC4)cc(OC)c1OC
InChIInChI=1S/C22H24N2O4/c1-26-18-11-13(12-19(27-2)21(18)28-3)23-22(25)16-9-6-8-15-14-7-4-5-10-17(14)24-20(15)16/h6,8-9,11-12,24H,4-5,7,10H2,1-3H3,(H,23,25)
InChIKeyCZLMICXNZMTRKX-UHFFFAOYSA-N
XLogP4.32
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.32
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

N-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 34985328
N-(6-methoxy-3-pyridinyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 34977108
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55644369
methyl 2-[3-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonylamino)phenoxy]acetate
CID 46416882
N-(3-chloro-4-methoxyphenyl)-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-5-carboxamide
CID 46267699
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 33230329
2-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 7741659
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-(2-methylbutanoylamino)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55868770
2-methylpropyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 50888414
N-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 154801796

Frequently Asked Questions

What is the IUPAC name of N-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of N-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 34979408) is N-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for N-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for N-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is COc1cc(NC(=O)c2cccc3c4c([nH]c23)CCCC4)cc(OC)c1OC.
What is the InChIKey of N-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is CZLMICXNZMTRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-26-18-11-13(12-19(27-2)21(18)28-3)23-22(25)16-9-6-8-15-14-7-4-5-10-17(14)24-20(15)16/h6,8-9,11-12,24H,4-5,7,10H2,1-3H3,(H,23,25).
What are the key properties of N-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
N-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 34979408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).