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

C16H20N2O2 — CID 63090825

IUPAC2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1cccc2c1CCC2NC
InChIInChI=1S/C16H20N2O2/c1-4-10-18-16(19)11(2)20-15-7-5-6-12-13(15)8-9-14(12)17-3/h1,5-7,11,14,17H,8-10H2,2-3H3,(H,18,19)
InChIKeyAQSFXKNTBXOUNO-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.41
Rot. Bonds5

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

2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylpropanamide (PubChem CID 63090825) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylpropanamide
PubChem CID63090825
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1cccc2c1CCC2NC
InChIInChI=1S/C16H20N2O2/c1-4-10-18-16(19)11(2)20-15-7-5-6-12-13(15)8-9-14(12)17-3/h1,5-7,11,14,17H,8-10H2,2-3H3,(H,18,19)
InChIKeyAQSFXKNTBXOUNO-UHFFFAOYSA-N
XLogP1.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.41
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-(2-methylpropyl)propanamide
CID 63089777
N-tert-butyl-2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]propanamide
CID 63089776
methyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]propanoate
CID 63091357
2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylacetamide
CID 55181634
2-[2-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylpropanamide
CID 60883292
2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylpropanamide
CID 63091735
2-fluoro-6-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]oxybenzoic acid
CID 107013925
2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-propan-2-ylpropanamide
CID 55179521
2-[2-(1-aminoethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 60879566
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-cyclopropylpropanamide
CID 63090463
2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-methylpropanamide
CID 60665655
N-ethyl-3-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]propanamide
CID 63091539

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylpropanamide (CID 63090825) is 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)Oc1cccc2c1CCC2NC.
What is the InChIKey of 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylpropanamide?
The InChIKey is AQSFXKNTBXOUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-10-18-16(19)11(2)20-15-7-5-6-12-13(15)8-9-14(12)17-3/h1,5-7,11,14,17H,8-10H2,2-3H3,(H,18,19).
What are the key properties of 2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylpropanamide?
2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylpropanamide has a molecular weight of 272.35 g/mol, XLogP of 1.41, 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-ynylpropanamide is sourced from PubChem (CID 63090825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).