3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide

C21H26N2O2 — CID 110011419

IUPAC3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1ccc2c(c1)C(Nc1cccc(C(=O)NCCO)c1C)C(C)C2
InChIInChI=1S/C21H26N2O2/c1-13-7-8-16-12-14(2)20(18(16)11-13)23-19-6-4-5-17(15(19)3)21(25)22-9-10-24/h4-8,11,14,20,23-24H,9-10,12H2,1-3H3,(H,22,25)
InChIKeyPSKNKKPQLWWVAK-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.37
Rot. Bonds5

About 3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide

3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide (PubChem CID 110011419) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide
PubChem CID110011419
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1ccc2c(c1)C(Nc1cccc(C(=O)NCCO)c1C)C(C)C2
InChIInChI=1S/C21H26N2O2/c1-13-7-8-16-12-14(2)20(18(16)11-13)23-19-6-4-5-17(15(19)3)21(25)22-9-10-24/h4-8,11,14,20,23-24H,9-10,12H2,1-3H3,(H,22,25)
InChIKeyPSKNKKPQLWWVAK-UHFFFAOYSA-N
XLogP3.37
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,4-dimethylphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 110906218
N-(2-hydroxyethyl)-2-methyl-3-[2-(3-methylphenoxy)ethylamino]benzamide
CID 111778028
4-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoic acid
CID 120552413
N-(2-hydroxyethyl)-4-methyl-2-(methylamino)benzamide
CID 146655569
1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 110024695
(2R)-1-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103949520
3-[(2,5-difluorophenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 110906159
2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62511184
1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylpentyl)urea
CID 110024645
3-[(3-chloro-4-fluorophenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 109480054
(1R,2S)-N-(1-fluoroethyl)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 173049230
ethane;N-(2-hydroxyethyl)-2-methylbenzamide
CID 143093743

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide?
The IUPAC name of 3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide (CID 110011419) is 3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide.
What is the SMILES notation for 3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide?
The canonical SMILES for 3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide is Cc1ccc2c(c1)C(Nc1cccc(C(=O)NCCO)c1C)C(C)C2.
What is the InChIKey of 3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide?
The InChIKey is PSKNKKPQLWWVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-13-7-8-16-12-14(2)20(18(16)11-13)23-19-6-4-5-17(15(19)3)21(25)22-9-10-24/h4-8,11,14,20,23-24H,9-10,12H2,1-3H3,(H,22,25).
What are the key properties of 3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide?
3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide has a molecular weight of 338.45 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-N-(2-hydroxyethyl)-2-methylbenzamide is sourced from PubChem (CID 110011419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).