2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylbenzamide

C18H20N2O — CID 43575502

IUPAC2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylbenzamide
SMILESCc1cccc(N)c1C(=O)N(C)C1CCc2ccccc21
InChIInChI=1S/C18H20N2O/c1-12-6-5-9-15(19)17(12)18(21)20(2)16-11-10-13-7-3-4-8-14(13)16/h3-9,16H,10-11,19H2,1-2H3
InChIKeyKHCRUTJZMWFBNV-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.34
Rot. Bonds2

About 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylbenzamide

2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylbenzamide (PubChem CID 43575502) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylbenzamide.

Molecular Properties

Compound Name2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylbenzamide
PubChem CID43575502
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylbenzamide
SMILESCc1cccc(N)c1C(=O)N(C)C1CCc2ccccc21
InChIInChI=1S/C18H20N2O/c1-12-6-5-9-15(19)17(12)18(21)20(2)16-11-10-13-7-3-4-8-14(13)16/h3-9,16H,10-11,19H2,1-2H3
InChIKeyKHCRUTJZMWFBNV-UHFFFAOYSA-N
XLogP3.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.34
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)-N,6-dimethylpyridine-2-carboxamide
CID 42944559
4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 43575493
4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1H-pyrazole-5-carboxamide
CID 63104276
N,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 134791703
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-N-methylbenzamide
CID 18283889
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 35205344
3-(chloromethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 43578962
(2R)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethylbutanamide
CID 79011570
5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-2-carboxamide
CID 43049148
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-4-methylsulfonylbenzamide
CID 25493349
N-(2,3-dihydro-1H-inden-1-yl)-N-methylbut-2-enamide
CID 112725238
4-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-4-oxobutanoic acid
CID 43578444

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylbenzamide?
The IUPAC name of 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylbenzamide (CID 43575502) is 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylbenzamide.
What is the SMILES notation for 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylbenzamide?
The canonical SMILES for 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylbenzamide is Cc1cccc(N)c1C(=O)N(C)C1CCc2ccccc21.
What is the InChIKey of 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylbenzamide?
The InChIKey is KHCRUTJZMWFBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12-6-5-9-15(19)17(12)18(21)20(2)16-11-10-13-7-3-4-8-14(13)16/h3-9,16H,10-11,19H2,1-2H3.
What are the key properties of 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylbenzamide?
2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylbenzamide has a molecular weight of 280.37 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylbenzamide is sourced from PubChem (CID 43575502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).