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

C14H19N3O3 — CID 107683032

IUPAC2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Oc1ccc2c(c1)CCC2N
InChIInChI=1S/C14H19N3O3/c1-8(13(18)17-14(19)16-2)20-10-4-5-11-9(7-10)3-6-12(11)15/h4-5,7-8,12H,3,6,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyIGQYOQQHLRYVST-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.86
Rot. Bonds3

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

2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(methylcarbamoyl)propanamide (PubChem CID 107683032) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(methylcarbamoyl)propanamide
PubChem CID107683032
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Oc1ccc2c(c1)CCC2N
InChIInChI=1S/C14H19N3O3/c1-8(13(18)17-14(19)16-2)20-10-4-5-11-9(7-10)3-6-12(11)15/h4-5,7-8,12H,3,6,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyIGQYOQQHLRYVST-UHFFFAOYSA-N
XLogP0.86
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-methylpropanamide
CID 107683137
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
(2R)-N-(methylcarbamoyl)-2-(3-methylphenoxy)propanamide
CID 7817429
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-propan-2-ylacetamide
CID 107682990
N-(methylcarbamoyl)-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide
CID 107314048
2-[3-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43115863
2-(4-carbamothioylphenoxy)-N-(methylcarbamoyl)propanamide
CID 43116873
N-(2-methoxyethyl)-2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanamide
CID 107683568
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)acetamide
CID 107683090
2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide
CID 107684659

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(methylcarbamoyl)propanamide (CID 107683032) is 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)Oc1ccc2c(c1)CCC2N.
What is the InChIKey of 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(methylcarbamoyl)propanamide?
The InChIKey is IGQYOQQHLRYVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-8(13(18)17-14(19)16-2)20-10-4-5-11-9(7-10)3-6-12(11)15/h4-5,7-8,12H,3,6,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(methylcarbamoyl)propanamide?
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(methylcarbamoyl)propanamide has a molecular weight of 277.32 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 107683032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).