[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-phenoxyacetate

C19H19NO4 — CID 95795799

IUPAC[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-phenoxyacetate
SMILESO=C(COC(=O)COc1ccccc1)N[C@H]1CCc2ccccc21
InChIInChI=1S/C19H19NO4/c21-18(20-17-11-10-14-6-4-5-9-16(14)17)12-24-19(22)13-23-15-7-2-1-3-8-15/h1-9,17H,10-13H2,(H,20,21)/t17-/m0/s1
InChIKeyNMJLUVYGTYGOGI-KRWDZBQOSA-N
MW325.36 g/mol
LogP2.41
Rot. Bonds6

About [2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-phenoxyacetate

[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-phenoxyacetate (PubChem CID 95795799) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is [2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-phenoxyacetate.

Molecular Properties

Compound Name[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-phenoxyacetate
PubChem CID95795799
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-phenoxyacetate
SMILESO=C(COC(=O)COc1ccccc1)N[C@H]1CCc2ccccc21
InChIInChI=1S/C19H19NO4/c21-18(20-17-11-10-14-6-4-5-9-16(14)17)12-24-19(22)13-23-15-7-2-1-3-8-15/h1-9,17H,10-13H2,(H,20,21)/t17-/m0/s1
InChIKeyNMJLUVYGTYGOGI-KRWDZBQOSA-N
XLogP2.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-phenoxyacetate with MolForge

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Related Compounds

[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(4-ethoxyphenoxy)acetate
CID 7605781
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-phenoxybutanoate
CID 7185712
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-(3-chlorophenoxy)acetate
CID 16512620
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-naphthalen-2-yloxyacetate
CID 4611696
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(3,5-dimethylphenoxy)acetate
CID 8911653
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 42885170
[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 95795793
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-cyclopentylacetate
CID 23848552
2-(4-phenylmethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7919823
[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822767
[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-iodobenzoate
CID 95795315

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-phenoxyacetate?
The IUPAC name of [2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-phenoxyacetate (CID 95795799) is [2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-phenoxyacetate.
What is the SMILES notation for [2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-phenoxyacetate?
The canonical SMILES for [2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-phenoxyacetate is O=C(COC(=O)COc1ccccc1)N[C@H]1CCc2ccccc21.
What is the InChIKey of [2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-phenoxyacetate?
The InChIKey is NMJLUVYGTYGOGI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19NO4/c21-18(20-17-11-10-14-6-4-5-9-16(14)17)12-24-19(22)13-23-15-7-2-1-3-8-15/h1-9,17H,10-13H2,(H,20,21)/t17-/m0/s1.
What are the key properties of [2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-phenoxyacetate?
[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-phenoxyacetate has a molecular weight of 325.36 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl] 2-phenoxyacetate is sourced from PubChem (CID 95795799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).