N-(2-aminoethyl)-2-(1,3-dihydroisoindol-2-yl)acetamide

C12H17N3O — CID 62204635

IUPACN-(2-aminoethyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
SMILESNCCNC(=O)CN1Cc2ccccc2C1
InChIInChI=1S/C12H17N3O/c13-5-6-14-12(16)9-15-7-10-3-1-2-4-11(10)8-15/h1-4H,5-9,13H2,(H,14,16)
InChIKeyHTGAAPFXSMFDMK-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.08
Rot. Bonds4

About N-(2-aminoethyl)-2-(1,3-dihydroisoindol-2-yl)acetamide

N-(2-aminoethyl)-2-(1,3-dihydroisoindol-2-yl)acetamide (PubChem CID 62204635) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(1,3-dihydroisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
PubChem CID62204635
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-(2-aminoethyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
SMILESNCCNC(=O)CN1Cc2ccccc2C1
InChIInChI=1S/C12H17N3O/c13-5-6-14-12(16)9-15-7-10-3-1-2-4-11(10)8-15/h1-4H,5-9,13H2,(H,14,16)
InChIKeyHTGAAPFXSMFDMK-UHFFFAOYSA-N
XLogP0.08
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-dihydroisoindol-2-yl)-N-prop-2-ynylacetamide
CID 78946000
bis(N-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)acetamide);methane
CID 157343011
N-(2-aminoethyl)-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide
CID 61206948
2-(1,3-dihydroisoindol-2-yl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
CID 131922886
N-(2-aminoethyl)-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)acetamide
CID 63777833
2-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide
CID 112708220
N-(2-amino-5-chlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 62206390
CID 58262387
CID 58262387
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-propylacetamide
CID 54949308
7-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]heptanamide;dihydrochloride
CID 119851304
2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide
CID 63573779
N-(3,5-dichlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 126213434

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(1,3-dihydroisoindol-2-yl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(1,3-dihydroisoindol-2-yl)acetamide (CID 62204635) is N-(2-aminoethyl)-2-(1,3-dihydroisoindol-2-yl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(1,3-dihydroisoindol-2-yl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(1,3-dihydroisoindol-2-yl)acetamide is NCCNC(=O)CN1Cc2ccccc2C1.
What is the InChIKey of N-(2-aminoethyl)-2-(1,3-dihydroisoindol-2-yl)acetamide?
The InChIKey is HTGAAPFXSMFDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-5-6-14-12(16)9-15-7-10-3-1-2-4-11(10)8-15/h1-4H,5-9,13H2,(H,14,16).
What are the key properties of N-(2-aminoethyl)-2-(1,3-dihydroisoindol-2-yl)acetamide?
N-(2-aminoethyl)-2-(1,3-dihydroisoindol-2-yl)acetamide has a molecular weight of 219.29 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(1,3-dihydroisoindol-2-yl)acetamide is sourced from PubChem (CID 62204635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).