2-(4-methylphenoxy)-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide

C21H22N2O2 — CID 84582539

IUPAC2-(4-methylphenoxy)-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide
SMILESCc1ccc(OCC(=O)NC2Cc3[nH]c4ccc(C)cc4c3C2)cc1
InChIInChI=1S/C21H22N2O2/c1-13-3-6-16(7-4-13)25-12-21(24)22-15-10-18-17-9-14(2)5-8-19(17)23-20(18)11-15/h3-9,15,23H,10-12H2,1-2H3,(H,22,24)
InChIKeyNGLVXNHITKNBGV-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.45
Rot. Bonds4

About 2-(4-methylphenoxy)-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide

2-(4-methylphenoxy)-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide (PubChem CID 84582539) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide
PubChem CID84582539
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-(4-methylphenoxy)-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide
SMILESCc1ccc(OCC(=O)NC2Cc3[nH]c4ccc(C)cc4c3C2)cc1
InChIInChI=1S/C21H22N2O2/c1-13-3-6-16(7-4-13)25-12-21(24)22-15-10-18-17-9-14(2)5-8-19(17)23-20(18)11-15/h3-9,15,23H,10-12H2,1-2H3,(H,22,24)
InChIKeyNGLVXNHITKNBGV-UHFFFAOYSA-N
XLogP3.45
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenoxy)-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide
CID 84582542
2-(4-chlorophenoxy)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
CID 84580341
N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)propanamide
CID 84581192
N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-4-oxopentanamide
CID 84581772
N-[2-[(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)amino]-2-oxoethyl]benzamide
CID 84579834
N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenoxypropanamide
CID 84579968
4-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84579471
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
CID 113097076
N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-2-(trifluoromethyl)benzamide
CID 84579548
3-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84582019
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94803257

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide (CID 84582539) is 2-(4-methylphenoxy)-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide is Cc1ccc(OCC(=O)NC2Cc3[nH]c4ccc(C)cc4c3C2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide?
The InChIKey is NGLVXNHITKNBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-13-3-6-16(7-4-13)25-12-21(24)22-15-10-18-17-9-14(2)5-8-19(17)23-20(18)11-15/h3-9,15,23H,10-12H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-methylphenoxy)-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide?
2-(4-methylphenoxy)-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide has a molecular weight of 334.42 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide is sourced from PubChem (CID 84582539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).