N-(1-acetamido-1-hydroxy-2,3-dihydroinden-5-yl)acetamide

C13H16N2O3 — CID 174789952

IUPACN-(1-acetamido-1-hydroxy-2,3-dihydroinden-5-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCC2(O)NC(C)=O
InChIInChI=1S/C13H16N2O3/c1-8(16)14-11-3-4-12-10(7-11)5-6-13(12,18)15-9(2)17/h3-4,7,18H,5-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyQVBKVTTUMGMKKH-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.87
Rot. Bonds2

About N-(1-acetamido-1-hydroxy-2,3-dihydroinden-5-yl)acetamide

N-(1-acetamido-1-hydroxy-2,3-dihydroinden-5-yl)acetamide (PubChem CID 174789952) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(1-acetamido-1-hydroxy-2,3-dihydroinden-5-yl)acetamide.

Molecular Properties

Compound NameN-(1-acetamido-1-hydroxy-2,3-dihydroinden-5-yl)acetamide
PubChem CID174789952
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(1-acetamido-1-hydroxy-2,3-dihydroinden-5-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCC2(O)NC(C)=O
InChIInChI=1S/C13H16N2O3/c1-8(16)14-11-3-4-12-10(7-11)5-6-13(12,18)15-9(2)17/h3-4,7,18H,5-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyQVBKVTTUMGMKKH-UHFFFAOYSA-N
XLogP0.87
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2',5'-dioxospiro[2,3-dihydroindene-1,4'-imidazolidine]-5-yl)acetamide
CID 118956972
N-(1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)acetamide chloride
CID 10775658
N-(3,5-diacetamidophenyl)acetamide
CID 12731559
N-[7-(aminomethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide
CID 123877752
N-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 21393481
N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetamide
CID 110459252
(6-acetamido-3,4-dihydronaphthalen-2-yl) acetate
CID 70154325
N-(2-benzyl-1,3-dihydroisoindol-5-yl)acetamide
CID 15167888
N-[(1R)-1-amino-2,3-dihydro-1H-inden-5-yl]acetamide
CID 55277889
2-[acetyl-[(1R)-1-hydroxy-5-(methylcarbamoylamino)-2,3-dihydroindene-1-carbonyl]amino]acetic acid
CID 166775842
N-(1H-isoindol-5-yl)acetamide
CID 142070136
methyl 1-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopropane-1-carboxylate
CID 75454858

Frequently Asked Questions

What is the IUPAC name of N-(1-acetamido-1-hydroxy-2,3-dihydroinden-5-yl)acetamide?
The IUPAC name of N-(1-acetamido-1-hydroxy-2,3-dihydroinden-5-yl)acetamide (CID 174789952) is N-(1-acetamido-1-hydroxy-2,3-dihydroinden-5-yl)acetamide.
What is the SMILES notation for N-(1-acetamido-1-hydroxy-2,3-dihydroinden-5-yl)acetamide?
The canonical SMILES for N-(1-acetamido-1-hydroxy-2,3-dihydroinden-5-yl)acetamide is CC(=O)Nc1ccc2c(c1)CCC2(O)NC(C)=O.
What is the InChIKey of N-(1-acetamido-1-hydroxy-2,3-dihydroinden-5-yl)acetamide?
The InChIKey is QVBKVTTUMGMKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8(16)14-11-3-4-12-10(7-11)5-6-13(12,18)15-9(2)17/h3-4,7,18H,5-6H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(1-acetamido-1-hydroxy-2,3-dihydroinden-5-yl)acetamide?
N-(1-acetamido-1-hydroxy-2,3-dihydroinden-5-yl)acetamide has a molecular weight of 248.28 g/mol, XLogP of 0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetamido-1-hydroxy-2,3-dihydroinden-5-yl)acetamide is sourced from PubChem (CID 174789952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).