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

C13H17N3O3 — CID 107683139

IUPAC2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-carbamoylpropanamide
SMILESCC(Oc1ccc2c(c1)CCC2N)C(=O)NC(N)=O
InChIInChI=1S/C13H17N3O3/c1-7(12(17)16-13(15)18)19-9-3-4-10-8(6-9)2-5-11(10)14/h3-4,6-7,11H,2,5,14H2,1H3,(H3,15,16,17,18)
InChIKeyKGLWTXMWVNJSFW-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.59
Rot. Bonds3

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

2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-carbamoylpropanamide (PubChem CID 107683139) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-carbamoylpropanamide.

Molecular Properties

Compound Name2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-carbamoylpropanamide
PubChem CID107683139
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-carbamoylpropanamide
SMILESCC(Oc1ccc2c(c1)CCC2N)C(=O)NC(N)=O
InChIInChI=1S/C13H17N3O3/c1-7(12(17)16-13(15)18)19-9-3-4-10-8(6-9)2-5-11(10)14/h3-4,6-7,11H,2,5,14H2,1H3,(H3,15,16,17,18)
InChIKeyKGLWTXMWVNJSFW-UHFFFAOYSA-N
XLogP0.59
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.59
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-(methylcarbamoyl)propanamide
CID 107683032
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-(3-methylbutyl)propanamide
CID 107682943
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-propan-2-ylacetamide
CID 107682990
N-cyclopropyl-2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanamide
CID 107683434
N-carbamoyl-2-[4-[(cyclopropylamino)methyl]phenoxy]propanamide
CID 43277090
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
N-carbamoyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 55190570
N-carbamoyl-2-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 78930610
N-[(1R)-1-amino-2,3-dihydro-1H-inden-5-yl]acetamide
CID 55277889
N-carbamoyl-2-[3-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 63365371

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-carbamoylpropanamide?
The IUPAC name of 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-carbamoylpropanamide (CID 107683139) is 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-carbamoylpropanamide.
What is the SMILES notation for 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-carbamoylpropanamide?
The canonical SMILES for 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-carbamoylpropanamide is CC(Oc1ccc2c(c1)CCC2N)C(=O)NC(N)=O.
What is the InChIKey of 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-carbamoylpropanamide?
The InChIKey is KGLWTXMWVNJSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-7(12(17)16-13(15)18)19-9-3-4-10-8(6-9)2-5-11(10)14/h3-4,6-7,11H,2,5,14H2,1H3,(H3,15,16,17,18).
What are the key properties of 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-carbamoylpropanamide?
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-carbamoylpropanamide has a molecular weight of 263.30 g/mol, XLogP of 0.59, 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-carbamoylpropanamide is sourced from PubChem (CID 107683139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).