3-amino-N-(2-methyl-1,3-dihydroisoindol-5-yl)propanamide

C12H17N3O — CID 110460211

IUPAC3-amino-N-(2-methyl-1,3-dihydroisoindol-5-yl)propanamide
SMILESCN1Cc2ccc(NC(=O)CCN)cc2C1
InChIInChI=1S/C12H17N3O/c1-15-7-9-2-3-11(6-10(9)8-15)14-12(16)4-5-13/h2-3,6H,4-5,7-8,13H2,1H3,(H,14,16)
InChIKeyOMDSLMFWUPJCFR-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.92
Rot. Bonds3

About 3-amino-N-(2-methyl-1,3-dihydroisoindol-5-yl)propanamide

3-amino-N-(2-methyl-1,3-dihydroisoindol-5-yl)propanamide (PubChem CID 110460211) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-1,3-dihydroisoindol-5-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2-methyl-1,3-dihydroisoindol-5-yl)propanamide
PubChem CID110460211
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-amino-N-(2-methyl-1,3-dihydroisoindol-5-yl)propanamide
SMILESCN1Cc2ccc(NC(=O)CCN)cc2C1
InChIInChI=1S/C12H17N3O/c1-15-7-9-2-3-11(6-10(9)8-15)14-12(16)4-5-13/h2-3,6H,4-5,7-8,13H2,1H3,(H,14,16)
InChIKeyOMDSLMFWUPJCFR-UHFFFAOYSA-N
XLogP0.92
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-1,3-dihydroisoindol-5-yl)-2-(1-methylimidazol-2-yl)acetamide
CID 110474684
(2-methyl-1,3-dihydroisoindol-5-yl)hydrazine
CID 55281459
N-(4-acetamidophenyl)-3-aminopropanamide
CID 22692055
3-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
CID 83626295
N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-naphthalen-1-ylacetamide
CID 139894614
3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride
CID 75530834
3-chloro-N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide
CID 110461021
3-amino-N-(4-methylphenyl)propanamide;hydrochloride
CID 15558174
N-(4-acetamido-3-methylphenyl)-3-aminopropanamide
CID 43698824
3-amino-N-(4-hydroxyphenyl)propanamide
CID 43710647
7-amino-N-(2,3-dihydro-1H-inden-5-yl)heptanamide
CID 24700487
N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide
CID 110459292

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-1,3-dihydroisoindol-5-yl)propanamide?
The IUPAC name of 3-amino-N-(2-methyl-1,3-dihydroisoindol-5-yl)propanamide (CID 110460211) is 3-amino-N-(2-methyl-1,3-dihydroisoindol-5-yl)propanamide.
What is the SMILES notation for 3-amino-N-(2-methyl-1,3-dihydroisoindol-5-yl)propanamide?
The canonical SMILES for 3-amino-N-(2-methyl-1,3-dihydroisoindol-5-yl)propanamide is CN1Cc2ccc(NC(=O)CCN)cc2C1.
What is the InChIKey of 3-amino-N-(2-methyl-1,3-dihydroisoindol-5-yl)propanamide?
The InChIKey is OMDSLMFWUPJCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-15-7-9-2-3-11(6-10(9)8-15)14-12(16)4-5-13/h2-3,6H,4-5,7-8,13H2,1H3,(H,14,16).
What are the key properties of 3-amino-N-(2-methyl-1,3-dihydroisoindol-5-yl)propanamide?
3-amino-N-(2-methyl-1,3-dihydroisoindol-5-yl)propanamide has a molecular weight of 219.29 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methyl-1,3-dihydroisoindol-5-yl)propanamide is sourced from PubChem (CID 110460211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).