2-(3,4-dimethoxyphenyl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide

C22H24N2O3 — CID 97496764

IUPAC2-(3,4-dimethoxyphenyl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
SMILESCOc1ccc(CC(=O)N[C@@H]2CCCc3c2[nH]c2ccccc32)cc1OC
InChIInChI=1S/C22H24N2O3/c1-26-19-11-10-14(12-20(19)27-2)13-21(25)23-18-9-5-7-16-15-6-3-4-8-17(15)24-22(16)18/h3-4,6,8,10-12,18,24H,5,7,9,13H2,1-2H3,(H,23,25)/t18-/m1/s1
InChIKeyPXZPNKXRCBYFNL-GOSISDBHSA-N
MW364.45 g/mol
LogP3.92
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide

2-(3,4-dimethoxyphenyl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide (PubChem CID 97496764) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
PubChem CID97496764
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
SMILESCOc1ccc(CC(=O)N[C@@H]2CCCc3c2[nH]c2ccccc32)cc1OC
InChIInChI=1S/C22H24N2O3/c1-26-19-11-10-14(12-20(19)27-2)13-21(25)23-18-9-5-7-16-15-6-3-4-8-17(15)24-22(16)18/h3-4,6,8,10-12,18,24H,5,7,9,13H2,1-2H3,(H,23,25)/t18-/m1/s1
InChIKeyPXZPNKXRCBYFNL-GOSISDBHSA-N
XLogP3.92
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.92
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

2-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 124604925
2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 125427756
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-phenylacetamide
CID 97487908
4,7-dimethoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide
CID 121239141
2-(3,4-dimethoxyphenyl)-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)ethanone
CID 141468668
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide
CID 110205464
methyl 2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)acetate
CID 65333695
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide
CID 97489146
3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide
CID 75492025
N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide
CID 124879022
2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 126418568
2-(1,3-benzodioxol-5-yloxy)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 126418545

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide (CID 97496764) is 2-(3,4-dimethoxyphenyl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide is COc1ccc(CC(=O)N[C@@H]2CCCc3c2[nH]c2ccccc32)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
The InChIKey is PXZPNKXRCBYFNL-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-26-19-11-10-14(12-20(19)27-2)13-21(25)23-18-9-5-7-16-15-6-3-4-8-17(15)24-22(16)18/h3-4,6,8,10-12,18,24H,5,7,9,13H2,1-2H3,(H,23,25)/t18-/m1/s1.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide is sourced from PubChem (CID 97496764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).