N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxyacetamide

C14H20N2O2 — CID 112603522

IUPACN-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NC1CCc2cc(N)ccc21
InChIInChI=1S/C14H20N2O2/c1-9(2)18-8-14(17)16-13-6-3-10-7-11(15)4-5-12(10)13/h4-5,7,9,13H,3,6,8,15H2,1-2H3,(H,16,17)
InChIKeyLQHLSLRNHSVKMH-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.80
Rot. Bonds4

About N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxyacetamide

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxyacetamide (PubChem CID 112603522) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxyacetamide
PubChem CID112603522
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NC1CCc2cc(N)ccc21
InChIInChI=1S/C14H20N2O2/c1-9(2)18-8-14(17)16-13-6-3-10-7-11(15)4-5-12(10)13/h4-5,7,9,13H,3,6,8,15H2,1-2H3,(H,16,17)
InChIKeyLQHLSLRNHSVKMH-UHFFFAOYSA-N
XLogP1.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3,3,3-trifluoropropanamide
CID 79740816
1-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79724759
1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol
CID 113492094
1-N-(2-ethoxypropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 113477076
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
CID 79723212
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(dimethylamino)propanamide
CID 116649806
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N-butan-2-ylpropanamide
CID 79730548
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 79735729
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide
CID 79741651
1-N-(1-methoxypropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79735935
1-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79741972
3-amino-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide
CID 119745353

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxyacetamide (CID 112603522) is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxyacetamide is CC(C)OCC(=O)NC1CCc2cc(N)ccc21.
What is the InChIKey of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxyacetamide?
The InChIKey is LQHLSLRNHSVKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(2)18-8-14(17)16-13-6-3-10-7-11(15)4-5-12(10)13/h4-5,7,9,13H,3,6,8,15H2,1-2H3,(H,16,17).
What are the key properties of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxyacetamide?
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxyacetamide has a molecular weight of 248.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112603522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).