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

C17H25NO3 — CID 25145900

IUPACN-butyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)acetamide
SMILESCCCCNC(=O)CC1CCc2cc(OC)c(OC)cc21
InChIInChI=1S/C17H25NO3/c1-4-5-8-18-17(19)10-13-7-6-12-9-15(20-2)16(21-3)11-14(12)13/h9,11,13H,4-8,10H2,1-3H3,(H,18,19)
InChIKeyFZDXFLGHTUDSFW-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.04
Rot. Bonds7

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

N-butyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)acetamide (PubChem CID 25145900) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-butyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)acetamide
PubChem CID25145900
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-butyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)acetamide
SMILESCCCCNC(=O)CC1CCc2cc(OC)c(OC)cc21
InChIInChI=1S/C17H25NO3/c1-4-5-8-18-17(19)10-13-7-6-12-9-15(20-2)16(21-3)11-14(12)13/h9,11,13H,4-8,10H2,1-3H3,(H,18,19)
InChIKeyFZDXFLGHTUDSFW-UHFFFAOYSA-N
XLogP3.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.04
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)acetamide?
The IUPAC name of N-butyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)acetamide (CID 25145900) is N-butyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)acetamide.
What is the SMILES notation for N-butyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)acetamide?
The canonical SMILES for N-butyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)acetamide is CCCCNC(=O)CC1CCc2cc(OC)c(OC)cc21.
What is the InChIKey of N-butyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)acetamide?
The InChIKey is FZDXFLGHTUDSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-5-8-18-17(19)10-13-7-6-12-9-15(20-2)16(21-3)11-14(12)13/h9,11,13H,4-8,10H2,1-3H3,(H,18,19).
What are the key properties of N-butyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)acetamide?
N-butyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)acetamide has a molecular weight of 291.39 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)acetamide is sourced from PubChem (CID 25145900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).