3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanamide

C13H18N2O — CID 43652107

IUPAC3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanamide
SMILESCC(CNC1CCc2ccccc21)C(N)=O
InChIInChI=1S/C13H18N2O/c1-9(13(14)16)8-15-12-7-6-10-4-2-3-5-11(10)12/h2-5,9,12,15H,6-8H2,1H3,(H2,14,16)
InChIKeyOAFOQPKTHPXCCV-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.38
Rot. Bonds4

About 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanamide

3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanamide (PubChem CID 43652107) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanamide
PubChem CID43652107
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanamide
SMILESCC(CNC1CCc2ccccc21)C(N)=O
InChIInChI=1S/C13H18N2O/c1-9(13(14)16)8-15-12-7-6-10-4-2-3-5-11(10)12/h2-5,9,12,15H,6-8H2,1H3,(H2,14,16)
InChIKeyOAFOQPKTHPXCCV-UHFFFAOYSA-N
XLogP1.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanoic acid
CID 43652106
2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43652090
3-(3,4-dihydro-2H-chromen-4-ylamino)-2-methylpropanamide
CID 62364889
2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanamide
CID 62305780
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
CID 13100819
methyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate
CID 60780698
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride
CID 22976313
N-butan-2-yl-2-(2,3-dihydro-1H-inden-1-ylamino)acetamide
CID 43424190
2-(2,3-dihydro-1H-inden-1-ylamino)-1-phenylethanol
CID 43394134
3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid
CID 43088449
N-[2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]acetamide
CID 43206104
2-(2,3-dihydro-1H-inden-1-ylamino)-N,N-dimethylacetamide
CID 43215159

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanamide?
The IUPAC name of 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanamide (CID 43652107) is 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanamide.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanamide?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanamide is CC(CNC1CCc2ccccc21)C(N)=O.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanamide?
The InChIKey is OAFOQPKTHPXCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(13(14)16)8-15-12-7-6-10-4-2-3-5-11(10)12/h2-5,9,12,15H,6-8H2,1H3,(H2,14,16).
What are the key properties of 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanamide?
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanamide has a molecular weight of 218.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanamide is sourced from PubChem (CID 43652107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).