2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylacetamide

C15H18N2O2 — CID 55181634

IUPAC2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1cccc2c1CCC2NC
InChIInChI=1S/C15H18N2O2/c1-3-9-17-15(18)10-19-14-6-4-5-11-12(14)7-8-13(11)16-2/h1,4-6,13,16H,7-10H2,2H3,(H,17,18)
InChIKeySYYMNSFPDOXVRI-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.02
Rot. Bonds5

About 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylacetamide

2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylacetamide (PubChem CID 55181634) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylacetamide
PubChem CID55181634
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1cccc2c1CCC2NC
InChIInChI=1S/C15H18N2O2/c1-3-9-17-15(18)10-19-14-6-4-5-11-12(14)7-8-13(11)16-2/h1,4-6,13,16H,7-10H2,2H3,(H,17,18)
InChIKeySYYMNSFPDOXVRI-UHFFFAOYSA-N
XLogP1.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylpropanamide
CID 63090825
N-cyclopropyl-2-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 65455358
N-ethyl-3-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]propanamide
CID 63091539
N-cyclopropyl-N-ethyl-2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]acetamide
CID 63091355
4-(2-methoxyethoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63090830
2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-(2-methoxyethyl)acetamide
CID 63091727
4-(3-ethoxypropoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 65175864
2-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-(cyanomethyl)acetamide
CID 65455158
N-methyl-4-(3-methylbut-3-enoxy)-2,3-dihydro-1H-inden-1-amine
CID 114471642
2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]butan-2-ol
CID 79360871
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-(2-methylpropyl)acetamide
CID 63091712
N-methyl-4-(2-phenoxyethoxy)-2,3-dihydro-1H-inden-1-amine
CID 63091176

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylacetamide (CID 55181634) is 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylacetamide is C#CCNC(=O)COc1cccc2c1CCC2NC.
What is the InChIKey of 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylacetamide?
The InChIKey is SYYMNSFPDOXVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-9-17-15(18)10-19-14-6-4-5-11-12(14)7-8-13(11)16-2/h1,4-6,13,16H,7-10H2,2H3,(H,17,18).
What are the key properties of 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylacetamide?
2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylacetamide has a molecular weight of 258.32 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylacetamide is sourced from PubChem (CID 55181634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).