N-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide

C19H20N2O2 — CID 110677636

IUPACN-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESCc1cccc2c1C(C(=O)Nc1ccc(N(C)C)cc1)CC2=O
InChIInChI=1S/C19H20N2O2/c1-12-5-4-6-15-17(22)11-16(18(12)15)19(23)20-13-7-9-14(10-8-13)21(2)3/h4-10,16H,11H2,1-3H3,(H,20,23)
InChIKeyXFWFSDQSRGSDAI-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.37
Rot. Bonds3

About N-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide

N-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide (PubChem CID 110677636) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
PubChem CID110677636
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESCc1cccc2c1C(C(=O)Nc1ccc(N(C)C)cc1)CC2=O
InChIInChI=1S/C19H20N2O2/c1-12-5-4-6-15-17(22)11-16(18(12)15)19(23)20-13-7-9-14(10-8-13)21(2)3/h4-10,16H,11H2,1-3H3,(H,20,23)
InChIKeyXFWFSDQSRGSDAI-UHFFFAOYSA-N
XLogP3.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
CID 110677598
7-methyl-N-[(2-methylphenyl)methyl]-3-oxo-1,2-dihydroindene-1-carboxamide
CID 110677544
3-oxo-N-phenyl-1,2-dihydroindene-1-carboxamide
CID 154839553
N-[3-[methyl-(3-oxo-1,2-dihydroindene-1-carbonyl)amino]phenyl]-3-oxo-1,2-dihydroindene-1-carboxamide
CID 146089982
1-N,2-N-bis[4-(dimethylamino)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143918
N-[4-(dimethylamino)phenyl]-2-hydroxy-3-methylbenzamide
CID 43405605
N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982179
2-N-[4-(dimethylamino)phenyl]-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141064
N-[4-(dimethylamino)phenyl]-4-oxocyclohexane-1-carboxamide
CID 112520495
N-[4-(dimethylamino)phenyl]-N'-(2,3-dimethylphenyl)propanediamide
CID 108953884
(2R)-N-[4-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 103813174
1-N-[4-(dimethylamino)phenyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056881

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide (CID 110677636) is N-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide is Cc1cccc2c1C(C(=O)Nc1ccc(N(C)C)cc1)CC2=O.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide?
The InChIKey is XFWFSDQSRGSDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12-5-4-6-15-17(22)11-16(18(12)15)19(23)20-13-7-9-14(10-8-13)21(2)3/h4-10,16H,11H2,1-3H3,(H,20,23).
What are the key properties of N-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide?
N-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-1,2-dihydroindene-1-carboxamide is sourced from PubChem (CID 110677636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).