4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide

C17H18N2O — CID 43575493

IUPAC4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(N)cc1)C1CCc2ccccc21
InChIInChI=1S/C17H18N2O/c1-19(17(20)13-6-9-14(18)10-7-13)16-11-8-12-4-2-3-5-15(12)16/h2-7,9-10,16H,8,11,18H2,1H3
InChIKeyITTNHUTYOFYMEG-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.03
Rot. Bonds2

About 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide

4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide (PubChem CID 43575493) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
PubChem CID43575493
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(N)cc1)C1CCc2ccccc21
InChIInChI=1S/C17H18N2O/c1-19(17(20)13-6-9-14(18)10-7-13)16-11-8-12-4-2-3-5-15(12)16/h2-7,9-10,16H,8,11,18H2,1H3
InChIKeyITTNHUTYOFYMEG-UHFFFAOYSA-N
XLogP3.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-N-methylbenzamide
CID 18283889
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-4-methylsulfonylbenzamide
CID 25493349
N,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42884040
4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 81295054
2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylbenzamide
CID 43575502
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 42916496
3-(chloromethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 43578962
5-bromo-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-3-carboxamide
CID 47159920
4-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 30875842
4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1H-pyrazole-5-carboxamide
CID 63104276
N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide
CID 144743792
4-amino-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride
CID 119728161

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide?
The IUPAC name of 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide (CID 43575493) is 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide.
What is the SMILES notation for 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide?
The canonical SMILES for 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide is CN(C(=O)c1ccc(N)cc1)C1CCc2ccccc21.
What is the InChIKey of 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide?
The InChIKey is ITTNHUTYOFYMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-19(17(20)13-6-9-14(18)10-7-13)16-11-8-12-4-2-3-5-15(12)16/h2-7,9-10,16H,8,11,18H2,1H3.
What are the key properties of 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide?
4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide has a molecular weight of 266.34 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide is sourced from PubChem (CID 43575493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).