1-(3,4-dimethoxyphenyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclopropane-1-carboxamide

C24H26N2O3 — CID 90958377

IUPAC1-(3,4-dimethoxyphenyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc4[nH]c5c(c4c3)CCCC5)CC2)cc1OC
InChIInChI=1S/C24H26N2O3/c1-28-21-10-7-15(13-22(21)29-2)24(11-12-24)23(27)25-16-8-9-20-18(14-16)17-5-3-4-6-19(17)26-20/h7-10,13-14,26H,3-6,11-12H2,1-2H3,(H,25,27)
InChIKeyIOHKUTNOTOSNNG-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.73
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclopropane-1-carboxamide

1-(3,4-dimethoxyphenyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 90958377) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclopropane-1-carboxamide
PubChem CID90958377
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name1-(3,4-dimethoxyphenyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc4[nH]c5c(c4c3)CCCC5)CC2)cc1OC
InChIInChI=1S/C24H26N2O3/c1-28-21-10-7-15(13-22(21)29-2)24(11-12-24)23(27)25-16-8-9-20-18(14-16)17-5-3-4-6-19(17)26-20/h7-10,13-14,26H,3-6,11-12H2,1-2H3,(H,25,27)
InChIKeyIOHKUTNOTOSNNG-UHFFFAOYSA-N
XLogP4.73
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.73
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

3,4-dimethoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)benzamide
CID 2107760
N-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 110438984
1-(3,4-dimethoxyphenyl)-N-(1H-indazol-6-yl)cyclopropane-1-carboxamide
CID 110438991
N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 1329491
1-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 1234744
N-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 2014049
ethyl 4-[[1-(3,4-dimethoxyphenyl)cyclopentanecarbonyl]amino]benzoate
CID 1147522
6,7-dimethoxy-2,3,4,9-tetrahydro-1H-carbazole
CID 14265020
N-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)oxane-4-carboxamide
CID 29134635
N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26364802
2-methylsulfanyl-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)pyrimidine-5-carboxamide
CID 16676147
N-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27252931

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclopropane-1-carboxamide (CID 90958377) is 1-(3,4-dimethoxyphenyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclopropane-1-carboxamide is COc1ccc(C2(C(=O)Nc3ccc4[nH]c5c(c4c3)CCCC5)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is IOHKUTNOTOSNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-28-21-10-7-15(13-22(21)29-2)24(11-12-24)23(27)25-16-8-9-20-18(14-16)17-5-3-4-6-19(17)26-20/h7-10,13-14,26H,3-6,11-12H2,1-2H3,(H,25,27).
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclopropane-1-carboxamide?
1-(3,4-dimethoxyphenyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 90958377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).