3-(3,4-dimethoxyphenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide

C23H26N2O3 — CID 84582066

IUPAC3-(3,4-dimethoxyphenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CCc3c([nH]c4ccccc34)C2)cc1OC
InChIInChI=1S/C23H26N2O3/c1-27-21-11-7-15(13-22(21)28-2)8-12-23(26)24-16-9-10-18-17-5-3-4-6-19(17)25-20(18)14-16/h3-7,11,13,16,25H,8-10,12,14H2,1-2H3,(H,24,26)
InChIKeyGVCZNRWTJSJYRA-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.79
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide

3-(3,4-dimethoxyphenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide (PubChem CID 84582066) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide
PubChem CID84582066
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CCc3c([nH]c4ccccc34)C2)cc1OC
InChIInChI=1S/C23H26N2O3/c1-27-21-11-7-15(13-22(21)28-2)8-12-23(26)24-16-9-10-18-17-5-3-4-6-19(17)25-20(18)14-16/h3-7,11,13,16,25H,8-10,12,14H2,1-2H3,(H,24,26)
InChIKeyGVCZNRWTJSJYRA-UHFFFAOYSA-N
XLogP3.79
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.79
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-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenylpropanamide
CID 84580220
2-(4-fluorophenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
CID 84580171
N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
CID 20529236
3,4-dimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84580618
2-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide
CID 84581853
2,3,4,9-tetrahydro-1H-carbazol-2-ylcarbamic acid
CID 20529231
(3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
CID 142183119
2-(3,4-dimethoxyphenyl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97496764
N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110406403
3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119453910
N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119478687
N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenoxypropanamide
CID 84579968

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide (CID 84582066) is 3-(3,4-dimethoxyphenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide is COc1ccc(CCC(=O)NC2CCc3c([nH]c4ccccc34)C2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide?
The InChIKey is GVCZNRWTJSJYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-27-21-11-7-15(13-22(21)28-2)8-12-23(26)24-16-9-10-18-17-5-3-4-6-19(17)25-20(18)14-16/h3-7,11,13,16,25H,8-10,12,14H2,1-2H3,(H,24,26).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide?
3-(3,4-dimethoxyphenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide has a molecular weight of 378.47 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide is sourced from PubChem (CID 84582066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).