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

C20H20N2O2 — CID 84582542

IUPAC2-(4-methylphenoxy)-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide
SMILESCc1ccc(OCC(=O)NC2Cc3[nH]c4ccccc4c3C2)cc1
InChIInChI=1S/C20H20N2O2/c1-13-6-8-15(9-7-13)24-12-20(23)21-14-10-17-16-4-2-3-5-18(16)22-19(17)11-14/h2-9,14,22H,10-12H2,1H3,(H,21,23)
InChIKeyKTEDQBPOEGGVCR-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.14
Rot. Bonds4

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

2-(4-methylphenoxy)-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide (PubChem CID 84582542) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide
PubChem CID84582542
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-(4-methylphenoxy)-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide
SMILESCc1ccc(OCC(=O)NC2Cc3[nH]c4ccccc4c3C2)cc1
InChIInChI=1S/C20H20N2O2/c1-13-6-8-15(9-7-13)24-12-20(23)21-14-10-17-16-4-2-3-5-18(16)22-19(17)11-14/h2-9,14,22H,10-12H2,1H3,(H,21,23)
InChIKeyKTEDQBPOEGGVCR-UHFFFAOYSA-N
XLogP3.14
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.14
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-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide
CID 84582539
methyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate
CID 84581597
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
3,4,5-trimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84580879
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
3,4-dimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84580618
N-[2-[(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)amino]-2-oxoethyl]benzamide
CID 84579834
N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-4-oxopentanamide
CID 84581772
3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide
CID 113096517
2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94803257
4-chloro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84579356

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide (CID 84582542) is 2-(4-methylphenoxy)-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide is Cc1ccc(OCC(=O)NC2Cc3[nH]c4ccccc4c3C2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide?
The InChIKey is KTEDQBPOEGGVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-13-6-8-15(9-7-13)24-12-20(23)21-14-10-17-16-4-2-3-5-18(16)22-19(17)11-14/h2-9,14,22H,10-12H2,1H3,(H,21,23).
What are the key properties of 2-(4-methylphenoxy)-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide?
2-(4-methylphenoxy)-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide has a molecular weight of 320.39 g/mol, XLogP of 3.14, 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-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide is sourced from PubChem (CID 84582542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).