2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-methylpropanamide

C13H18N2O2 — CID 107683137

IUPAC2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1ccc2c(c1)CCC2N
InChIInChI=1S/C13H18N2O2/c1-8(13(16)15-2)17-10-4-5-11-9(7-10)3-6-12(11)14/h4-5,7-8,12H,3,6,14H2,1-2H3,(H,15,16)
InChIKeyBQGRSPWEMTWSKU-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.15
Rot. Bonds3

About 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-methylpropanamide

2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-methylpropanamide (PubChem CID 107683137) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-methylpropanamide
PubChem CID107683137
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1ccc2c(c1)CCC2N
InChIInChI=1S/C13H18N2O2/c1-8(13(16)15-2)17-10-4-5-11-9(7-10)3-6-12(11)14/h4-5,7-8,12H,3,6,14H2,1-2H3,(H,15,16)
InChIKeyBQGRSPWEMTWSKU-UHFFFAOYSA-N
XLogP1.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(methylcarbamoyl)propanamide
CID 107683032
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-carbamoylpropanamide
CID 107683139
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide
CID 107682943
N-cyclopropyl-2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanamide
CID 107683434
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-propan-2-ylacetamide
CID 107682990
N-[(1R)-1-amino-2,3-dihydro-1H-inden-5-yl]acetamide
CID 55277889
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)acetamide
CID 107683090
N-(2-methoxyethyl)-2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanamide
CID 107683568
2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide
CID 107684659
(2R)-2-(3-aminophenoxy)-N-methylpropanamide
CID 28908554
2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methoxypropyl)propanamide
CID 107684834
ethyl 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanoate
CID 107683817

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-methylpropanamide?
The IUPAC name of 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-methylpropanamide (CID 107683137) is 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-methylpropanamide.
What is the SMILES notation for 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-methylpropanamide?
The canonical SMILES for 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-methylpropanamide is CNC(=O)C(C)Oc1ccc2c(c1)CCC2N.
What is the InChIKey of 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-methylpropanamide?
The InChIKey is BQGRSPWEMTWSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8(13(16)15-2)17-10-4-5-11-9(7-10)3-6-12(11)14/h4-5,7-8,12H,3,6,14H2,1-2H3,(H,15,16).
What are the key properties of 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-methylpropanamide?
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-methylpropanamide has a molecular weight of 234.30 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-methylpropanamide is sourced from PubChem (CID 107683137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).