N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-4-(methylamino)butanamide

C15H22N2O — CID 119746184

IUPACN-(2,3-dihydro-1H-inden-2-yl)-N-methyl-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(C)C1Cc2ccccc2C1
InChIInChI=1S/C15H22N2O/c1-16-9-5-8-15(18)17(2)14-10-12-6-3-4-7-13(12)11-14/h3-4,6-7,14,16H,5,8-11H2,1-2H3
InChIKeyFRGRUGBREZUXKS-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.61
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-4-(methylamino)butanamide

N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-4-(methylamino)butanamide (PubChem CID 119746184) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-N-methyl-4-(methylamino)butanamide
PubChem CID119746184
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-N-methyl-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(C)C1Cc2ccccc2C1
InChIInChI=1S/C15H22N2O/c1-16-9-5-8-15(18)17(2)14-10-12-6-3-4-7-13(12)11-14/h3-4,6-7,14,16H,5,8-11H2,1-2H3
InChIKeyFRGRUGBREZUXKS-UHFFFAOYSA-N
XLogP1.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Indantadol
CID 10192617
Butanamide, N-(1,2,3,4-tetrahydro-2-naphthalenyl)-
CID 10353304
(E)-N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-3-(4-fluorophenyl)prop-2-enamide
CID 122181329
N-(2,3-dihydro-1H-inden-2-yl)-2-(3-oxo-2-piperazinyl)acetamide
CID 2814083
2-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 6464276
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-(methylthio)acetamide
CID 23723347
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]but-2-ynamide
CID 23723780
1-[2-(Indan-2-ylamino)-acetyl]-pyrrolidine-2-carbonitrile
CID 10923589
(2S)-N-(2,3-dihydro-1H-inden-2-yl)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide
CID 145992849
n-(2-Phenylethyl)butanamide
CID 221995
Indantadol hydrochloride
CID 10198454
2-(2-Oxopyrrolidin-1-yl)-N-(1-phenylpropan-2-yl)ethanimidic acid
CID 3080062

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-4-(methylamino)butanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-4-(methylamino)butanamide (CID 119746184) is N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-4-(methylamino)butanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-4-(methylamino)butanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-4-(methylamino)butanamide is CNCCCC(=O)N(C)C1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-4-(methylamino)butanamide?
The InChIKey is FRGRUGBREZUXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-16-9-5-8-15(18)17(2)14-10-12-6-3-4-7-13(12)11-14/h3-4,6-7,14,16H,5,8-11H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-4-(methylamino)butanamide?
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-4-(methylamino)butanamide has a molecular weight of 246.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-4-(methylamino)butanamide is sourced from PubChem (CID 119746184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).