2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-pentylacetamide

C18H27NO3 — CID 25146022

IUPAC2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)CC1CCc2cc(OC)c(OC)cc21
InChIInChI=1S/C18H27NO3/c1-4-5-6-9-19-18(20)11-14-8-7-13-10-16(21-2)17(22-3)12-15(13)14/h10,12,14H,4-9,11H2,1-3H3,(H,19,20)
InChIKeyLMBPIKVQPHUIFA-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.43
Rot. Bonds8

About 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-pentylacetamide

2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-pentylacetamide (PubChem CID 25146022) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-pentylacetamide.

Molecular Properties

Compound Name2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-pentylacetamide
PubChem CID25146022
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)CC1CCc2cc(OC)c(OC)cc21
InChIInChI=1S/C18H27NO3/c1-4-5-6-9-19-18(20)11-14-8-7-13-10-16(21-2)17(22-3)12-15(13)14/h10,12,14H,4-9,11H2,1-3H3,(H,19,20)
InChIKeyLMBPIKVQPHUIFA-UHFFFAOYSA-N
XLogP3.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Rolipram
CID 5092
Ramelteon
CID 208902
(S)-Rolipram
CID 158758
N-(2-(1,6,7,8-Tetrahydro-2H-indeno(5,4-b)furan-8-yl)ethyl)propanamide
CID 9881626
Desbenzyl donepezil
CID 10446897
(-)-Rolipram
CID 448055
N-(2-(3,4-Dimethoxyphenyl)ethyl)-2-(4-methoxyphenyl)acetamide
CID 4321627
(S)-N-[2-(2,3-Dihydro-6-methoxy-1H-inden-1-YL)ethyl]propanamide
CID 9816335
2,2,2-Trifluoro-N-[2-(6-methoxy-indan-1-yl)-ethyl]-acetamide
CID 9860698
N-[2-(7,8-dihydro-6H-indeno[4,5-d]-1,3-dioxol-8-yl)ethyl]propionamide
CID 10934249
N-[2-(3,7,8,9-tetrahydro-2H-cyclopenta[h][1,4]benzodioxin-9-yl)ethyl]propanamide
CID 10967744
(s)-1-[2-(Acetylamino)ethyl]-6-methoxyindan
CID 10988162

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-pentylacetamide?
The IUPAC name of 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-pentylacetamide (CID 25146022) is 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-pentylacetamide.
What is the SMILES notation for 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-pentylacetamide?
The canonical SMILES for 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-pentylacetamide is CCCCCNC(=O)CC1CCc2cc(OC)c(OC)cc21.
What is the InChIKey of 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-pentylacetamide?
The InChIKey is LMBPIKVQPHUIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-4-5-6-9-19-18(20)11-14-8-7-13-10-16(21-2)17(22-3)12-15(13)14/h10,12,14H,4-9,11H2,1-3H3,(H,19,20).
What are the key properties of 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-pentylacetamide?
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-pentylacetamide has a molecular weight of 305.42 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-pentylacetamide is sourced from PubChem (CID 25146022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).