2-(2H-isoindol-4-ylamino)-N-methylacetamide

C11H13N3O — CID 143421273

IUPAC2-(2H-isoindol-4-ylamino)-N-methylacetamide
SMILESCNC(=O)CNc1cccc2c[nH]cc12
InChIInChI=1S/C11H13N3O/c1-12-11(15)7-14-10-4-2-3-8-5-13-6-9(8)10/h2-6,13-14H,7H2,1H3,(H,12,15)
InChIKeyFUNJSTUQRKXEOO-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.33
Rot. Bonds3

About 2-(2H-isoindol-4-ylamino)-N-methylacetamide

2-(2H-isoindol-4-ylamino)-N-methylacetamide (PubChem CID 143421273) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(2H-isoindol-4-ylamino)-N-methylacetamide.

Molecular Properties

Compound Name2-(2H-isoindol-4-ylamino)-N-methylacetamide
PubChem CID143421273
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name2-(2H-isoindol-4-ylamino)-N-methylacetamide
SMILESCNC(=O)CNc1cccc2c[nH]cc12
InChIInChI=1S/C11H13N3O/c1-12-11(15)7-14-10-4-2-3-8-5-13-6-9(8)10/h2-6,13-14H,7H2,1H3,(H,12,15)
InChIKeyFUNJSTUQRKXEOO-UHFFFAOYSA-N
XLogP1.33
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(naphthalen-1-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78815389
2-(2-amino-3-sulfamoylanilino)-N-methylacetamide
CID 112674675
2-(naphthalen-1-ylamino)-N-phenylacetamide
CID 9082358
N-cyclopropyl-2-(naphthalen-1-ylamino)acetamide
CID 26506369
ethyl 2-amino-3-[[2-(methylamino)-2-oxoethyl]amino]benzoate
CID 113332560
N-methyl-2-(2,3,4-trifluoroanilino)acetamide
CID 28574383
2-(naphthalen-1-ylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54809130
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 6083520
2-[(5-chloro-1-methylpyrazol-4-yl)amino]-N-methylacetamide
CID 164649869
2-[3-(aminomethyl)anilino]-N-methylacetamide
CID 144916665
N-(4-methylsulfonylphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 42026353
2-(naphthalen-1-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6322259

Frequently Asked Questions

What is the IUPAC name of 2-(2H-isoindol-4-ylamino)-N-methylacetamide?
The IUPAC name of 2-(2H-isoindol-4-ylamino)-N-methylacetamide (CID 143421273) is 2-(2H-isoindol-4-ylamino)-N-methylacetamide.
What is the SMILES notation for 2-(2H-isoindol-4-ylamino)-N-methylacetamide?
The canonical SMILES for 2-(2H-isoindol-4-ylamino)-N-methylacetamide is CNC(=O)CNc1cccc2c[nH]cc12.
What is the InChIKey of 2-(2H-isoindol-4-ylamino)-N-methylacetamide?
The InChIKey is FUNJSTUQRKXEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-12-11(15)7-14-10-4-2-3-8-5-13-6-9(8)10/h2-6,13-14H,7H2,1H3,(H,12,15).
What are the key properties of 2-(2H-isoindol-4-ylamino)-N-methylacetamide?
2-(2H-isoindol-4-ylamino)-N-methylacetamide has a molecular weight of 203.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-isoindol-4-ylamino)-N-methylacetamide is sourced from PubChem (CID 143421273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).