2-amino-N-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]acetamide

C12H15N3O2 — CID 55049954

IUPAC2-amino-N-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)N1Cc2ccccc2C1
InChIInChI=1S/C12H15N3O2/c13-5-11(16)14-6-12(17)15-7-9-3-1-2-4-10(9)8-15/h1-4H,5-8,13H2,(H,14,16)
InChIKeyVRCGPNXAEMRTDG-UHFFFAOYSA-N
MW233.27 g/mol
LogP-0.40
Rot. Bonds3

About 2-amino-N-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]acetamide

2-amino-N-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]acetamide (PubChem CID 55049954) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-amino-N-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]acetamide
PubChem CID55049954
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-amino-N-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)N1Cc2ccccc2C1
InChIInChI=1S/C12H15N3O2/c13-5-11(16)14-6-12(17)15-7-9-3-1-2-4-10(9)8-15/h1-4H,5-8,13H2,(H,14,16)
InChIKeyVRCGPNXAEMRTDG-UHFFFAOYSA-N
XLogP-0.40
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]acetamide
CID 166408853
3-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]butanamide
CID 119769498
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-phenylacetamide
CID 2567857
2-amino-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 60936651
1-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)ethanone
CID 62230150
2-amino-N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 107220699
2-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 60848653
aminomethyl 1,3-dihydroisoindole-2-carboxylate
CID 154463636
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(4-ethoxyphenyl)acetamide
CID 110370885
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111537805
2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]acetamide;dihydrochloride
CID 119850045
4-amino-N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]pentanamide;hydrochloride
CID 120562655

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]acetamide (CID 55049954) is 2-amino-N-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]acetamide is NCC(=O)NCC(=O)N1Cc2ccccc2C1.
What is the InChIKey of 2-amino-N-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]acetamide?
The InChIKey is VRCGPNXAEMRTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c13-5-11(16)14-6-12(17)15-7-9-3-1-2-4-10(9)8-15/h1-4H,5-8,13H2,(H,14,16).
What are the key properties of 2-amino-N-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]acetamide?
2-amino-N-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]acetamide has a molecular weight of 233.27 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 55049954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).