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

C15H21NO — CID 125481439

IUPACN-butyl-2-(2,3-dihydro-1H-inden-2-yl)acetamide
SMILESCCCCNC(=O)CC1Cc2ccccc2C1
InChIInChI=1S/C15H21NO/c1-2-3-8-16-15(17)11-12-9-13-6-4-5-7-14(13)10-12/h4-7,12H,2-3,8-11H2,1H3,(H,16,17)
InChIKeyCBBRWGBAIDSRKR-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.71
Rot. Bonds5

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

N-butyl-2-(2,3-dihydro-1H-inden-2-yl)acetamide (PubChem CID 125481439) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-butyl-2-(2,3-dihydro-1H-inden-2-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(2,3-dihydro-1H-inden-2-yl)acetamide
PubChem CID125481439
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-butyl-2-(2,3-dihydro-1H-inden-2-yl)acetamide
SMILESCCCCNC(=O)CC1Cc2ccccc2C1
InChIInChI=1S/C15H21NO/c1-2-3-8-16-15(17)11-12-9-13-6-4-5-7-14(13)10-12/h4-7,12H,2-3,8-11H2,1H3,(H,16,17)
InChIKeyCBBRWGBAIDSRKR-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide
CID 91836315
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-N-butylacetamide
CID 66396017
2-cyclopropyl-N-pentylacetamide
CID 66755217
N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24699121
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide
CID 72894922
2-(2,3-dihydro-1H-inden-2-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide
CID 124749478
ethyl 2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 10104359
2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide
CID 91834323
2-(2,3-dihydro-1H-inden-2-yl)-N-(1,4-dioxan-2-ylmethyl)acetamide
CID 91828550
2-cyclohexyl-N-octylacetamide
CID 3547359
2-(2,3-dihydro-1H-inden-2-yl)-N-(4-hydroxycyclohexyl)acetamide
CID 91833981
2-(2,3-dihydro-1H-indol-3-yl)-N-pentylacetamide
CID 80573792

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2,3-dihydro-1H-inden-2-yl)acetamide?
The IUPAC name of N-butyl-2-(2,3-dihydro-1H-inden-2-yl)acetamide (CID 125481439) is N-butyl-2-(2,3-dihydro-1H-inden-2-yl)acetamide.
What is the SMILES notation for N-butyl-2-(2,3-dihydro-1H-inden-2-yl)acetamide?
The canonical SMILES for N-butyl-2-(2,3-dihydro-1H-inden-2-yl)acetamide is CCCCNC(=O)CC1Cc2ccccc2C1.
What is the InChIKey of N-butyl-2-(2,3-dihydro-1H-inden-2-yl)acetamide?
The InChIKey is CBBRWGBAIDSRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-3-8-16-15(17)11-12-9-13-6-4-5-7-14(13)10-12/h4-7,12H,2-3,8-11H2,1H3,(H,16,17).
What are the key properties of N-butyl-2-(2,3-dihydro-1H-inden-2-yl)acetamide?
N-butyl-2-(2,3-dihydro-1H-inden-2-yl)acetamide has a molecular weight of 231.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2,3-dihydro-1H-inden-2-yl)acetamide is sourced from PubChem (CID 125481439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).