[(1R,3S)-3-(phenacylamino)-2,3-dihydro-1H-inden-1-yl] acetate

C19H19NO3 — CID 58813153

IUPAC[(1R,3S)-3-(phenacylamino)-2,3-dihydro-1H-inden-1-yl] acetate
SMILESCC(=O)O[C@@H]1C[C@H](NCC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C19H19NO3/c1-13(21)23-19-11-17(15-9-5-6-10-16(15)19)20-12-18(22)14-7-3-2-4-8-14/h2-10,17,19-20H,11-12H2,1H3/t17-,19+/m0/s1
InChIKeyVCGJFVNYPBSWLV-PKOBYXMFSA-N
MW309.37 g/mol
LogP3.21
Rot. Bonds5

About [(1R,3S)-3-(phenacylamino)-2,3-dihydro-1H-inden-1-yl] acetate

[(1R,3S)-3-(phenacylamino)-2,3-dihydro-1H-inden-1-yl] acetate (PubChem CID 58813153) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is [(1R,3S)-3-(phenacylamino)-2,3-dihydro-1H-inden-1-yl] acetate.

Molecular Properties

Compound Name[(1R,3S)-3-(phenacylamino)-2,3-dihydro-1H-inden-1-yl] acetate
PubChem CID58813153
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name[(1R,3S)-3-(phenacylamino)-2,3-dihydro-1H-inden-1-yl] acetate
SMILESCC(=O)O[C@@H]1C[C@H](NCC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C19H19NO3/c1-13(21)23-19-11-17(15-9-5-6-10-16(15)19)20-12-18(22)14-7-3-2-4-8-14/h2-10,17,19-20H,11-12H2,1H3/t17-,19+/m0/s1
InChIKeyVCGJFVNYPBSWLV-PKOBYXMFSA-N
XLogP3.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl] acetate
CID 11961495
[(1R,4R)-4-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-yl] acetate
CID 67461460
[(5R,10R)-5-acetyloxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-10-yl] acetate
CID 102118384
[(1S,3R)-3-[bis(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-1-yl] acetate
CID 71583746
2-[[(1R,3S)-3-methylcyclohexyl]amino]-1-phenylethanone
CID 122534357
2-(2-bicyclo[2.2.1]heptanylamino)-1-phenylethanone
CID 68543385
2-methyl-N-phenacylcyclopropane-1-carboxamide
CID 64991605
2-[(4-aminocyclohexyl)amino]-1-phenylethanone
CID 54572830
N-[(1S)-4-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 70619318
(E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione
CID 175490390
[(3S,4S)-6-hydroxy-3,4-dimethyl-5-(phenacylamino)oxan-2-yl]methyl acetate
CID 118053675
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-(phenacylamino)-2,3-dihydro-1H-inden-1-yl] acetate?
The IUPAC name of [(1R,3S)-3-(phenacylamino)-2,3-dihydro-1H-inden-1-yl] acetate (CID 58813153) is [(1R,3S)-3-(phenacylamino)-2,3-dihydro-1H-inden-1-yl] acetate.
What is the SMILES notation for [(1R,3S)-3-(phenacylamino)-2,3-dihydro-1H-inden-1-yl] acetate?
The canonical SMILES for [(1R,3S)-3-(phenacylamino)-2,3-dihydro-1H-inden-1-yl] acetate is CC(=O)O[C@@H]1C[C@H](NCC(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of [(1R,3S)-3-(phenacylamino)-2,3-dihydro-1H-inden-1-yl] acetate?
The InChIKey is VCGJFVNYPBSWLV-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H19NO3/c1-13(21)23-19-11-17(15-9-5-6-10-16(15)19)20-12-18(22)14-7-3-2-4-8-14/h2-10,17,19-20H,11-12H2,1H3/t17-,19+/m0/s1.
What are the key properties of [(1R,3S)-3-(phenacylamino)-2,3-dihydro-1H-inden-1-yl] acetate?
[(1R,3S)-3-(phenacylamino)-2,3-dihydro-1H-inden-1-yl] acetate has a molecular weight of 309.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-(phenacylamino)-2,3-dihydro-1H-inden-1-yl] acetate is sourced from PubChem (CID 58813153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).