2-(diethylamino)-N-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride

C21H27ClN2O — CID 3055376

IUPAC2-(diethylamino)-N-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride
SMILESCCN(CC)CC(=O)NC1CC(c2ccccc2)c2ccccc21.Cl
InChIInChI=1S/C21H26N2O.ClH/c1-3-23(4-2)15-21(24)22-20-14-19(16-10-6-5-7-11-16)17-12-8-9-13-18(17)20;/h5-13,19-20H,3-4,14-15H2,1-2H3,(H,22,24);1H
InChIKeyRUCYAAZMHMHNDZ-UHFFFAOYSA-N
MW358.91 g/mol
LogP4.14
Rot. Bonds6

About 2-(diethylamino)-N-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride

2-(diethylamino)-N-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride (PubChem CID 3055376) has the molecular formula C21H27ClN2O and a molecular weight of 358.91 g/mol. Its IUPAC name is 2-(diethylamino)-N-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)-N-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride
PubChem CID3055376
Molecular FormulaC21H27ClN2O
Molecular Weight358.91 g/mol
Exact Mass358.18
IUPAC Name2-(diethylamino)-N-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride
SMILESCCN(CC)CC(=O)NC1CC(c2ccccc2)c2ccccc21.Cl
InChIInChI=1S/C21H26N2O.ClH/c1-3-23(4-2)15-21(24)22-20-14-19(16-10-6-5-7-11-16)17-12-8-9-13-18(17)20;/h5-13,19-20H,3-4,14-15H2,1-2H3,(H,22,24);1H
InChIKeyRUCYAAZMHMHNDZ-UHFFFAOYSA-N
XLogP4.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.91
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride?
The IUPAC name of 2-(diethylamino)-N-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride (CID 3055376) is 2-(diethylamino)-N-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(diethylamino)-N-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(diethylamino)-N-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride is CCN(CC)CC(=O)NC1CC(c2ccccc2)c2ccccc21.Cl.
What is the InChIKey of 2-(diethylamino)-N-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride?
The InChIKey is RUCYAAZMHMHNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O.ClH/c1-3-23(4-2)15-21(24)22-20-14-19(16-10-6-5-7-11-16)17-12-8-9-13-18(17)20;/h5-13,19-20H,3-4,14-15H2,1-2H3,(H,22,24);1H.
What are the key properties of 2-(diethylamino)-N-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride?
2-(diethylamino)-N-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride has a molecular weight of 358.91 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 3055376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).