3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-hydroxypropanamide

C14H20N2O2 — CID 114153528

IUPAC3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-hydroxypropanamide
SMILESCC(NCC(O)C(N)=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H20N2O2/c1-9(16-8-13(17)14(15)18)11-6-5-10-3-2-4-12(10)7-11/h5-7,9,13,16-17H,2-4,8H2,1H3,(H2,15,18)
InChIKeyKOMFVYTUOKJOPZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.67
Rot. Bonds5

About 3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-hydroxypropanamide

3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-hydroxypropanamide (PubChem CID 114153528) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-hydroxypropanamide
PubChem CID114153528
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-hydroxypropanamide
SMILESCC(NCC(O)C(N)=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H20N2O2/c1-9(16-8-13(17)14(15)18)11-6-5-10-3-2-4-12(10)7-11/h5-7,9,13,16-17H,2-4,8H2,1H3,(H2,15,18)
InChIKeyKOMFVYTUOKJOPZ-UHFFFAOYSA-N
XLogP0.67
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol
CID 115720493
2,2-dimethyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanamide
CID 103917195
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethanol
CID 43151079
2,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butan-1-amine
CID 64568274
2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid
CID 54959527
ethyl 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetate
CID 54917644
2-hydroxy-3-[1-(4-methoxyphenyl)ethylamino]propanamide
CID 106170555
N,N-dimethyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetamide
CID 43214735
3-(2,3-dihydro-1H-inden-5-yl)butanamide
CID 82076746
N'-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]butane-1,4-diamine
CID 60893434
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbut-2-en-1-amine
CID 106180416
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-2-hydroxypropanamide
CID 107258346

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-hydroxypropanamide?
The IUPAC name of 3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-hydroxypropanamide (CID 114153528) is 3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-hydroxypropanamide?
The canonical SMILES for 3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-hydroxypropanamide is CC(NCC(O)C(N)=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-hydroxypropanamide?
The InChIKey is KOMFVYTUOKJOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(16-8-13(17)14(15)18)11-6-5-10-3-2-4-12(10)7-11/h5-7,9,13,16-17H,2-4,8H2,1H3,(H2,15,18).
What are the key properties of 3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-hydroxypropanamide?
3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-hydroxypropanamide has a molecular weight of 248.33 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-hydroxypropanamide is sourced from PubChem (CID 114153528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).