3-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanamide

C13H18N2O — CID 43312074

IUPAC3-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanamide
SMILESCC(CNc1ccc2c(c1)CCC2)C(N)=O
InChIInChI=1S/C13H18N2O/c1-9(13(14)16)8-15-12-6-5-10-3-2-4-11(10)7-12/h5-7,9,15H,2-4,8H2,1H3,(H2,14,16)
InChIKeySMGLFGIOTAGACO-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.71
Rot. Bonds4

About 3-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanamide

3-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanamide (PubChem CID 43312074) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanamide
PubChem CID43312074
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanamide
SMILESCC(CNc1ccc2c(c1)CCC2)C(N)=O
InChIInChI=1S/C13H18N2O/c1-9(13(14)16)8-15-12-6-5-10-3-2-4-11(10)7-12/h5-7,9,15H,2-4,8H2,1H3,(H2,14,16)
InChIKeySMGLFGIOTAGACO-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,3-dihydro-1H-inden-5-ylamino)-2-(methylamino)propanoic acid
CID 115255887
2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-3-methylbutan-1-ol
CID 115251818
2-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115198218
1-(2,3-dihydro-1H-inden-5-ylamino)propan-2-one
CID 115234414
N'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine
CID 115226489
2-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
CID 115202278
3-(4-acetamidoanilino)-2-methylpropanamide
CID 43311999
(2R)-2-(carbamoylamino)-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentanamide
CID 2572487
2-amino-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 24704164
3-amino-N-(2,3-dihydro-1H-inden-5-yl)butanamide;hydrochloride
CID 119678186
3-(5,6,7,8-tetrahydronaphthalen-2-ylamino)propane-1,2-diol
CID 115121860
2-(2,3-dihydro-1H-inden-5-ylamino)-1-pyrrolidin-1-ylethanone
CID 28578084

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanamide?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanamide (CID 43312074) is 3-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanamide.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanamide?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanamide is CC(CNc1ccc2c(c1)CCC2)C(N)=O.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanamide?
The InChIKey is SMGLFGIOTAGACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(13(14)16)8-15-12-6-5-10-3-2-4-11(10)7-12/h5-7,9,15H,2-4,8H2,1H3,(H2,14,16).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanamide?
3-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanamide has a molecular weight of 218.30 g/mol, XLogP of 1.71, 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-5-ylamino)-2-methylpropanamide is sourced from PubChem (CID 43312074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).