N-benzhydryl-2-(diethylamino)acetamide;hydrochloride

C19H25ClN2O — CID 3042557

IUPACN-benzhydryl-2-(diethylamino)acetamide;hydrochloride
SMILESCCN(CC)CC(=O)NC(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C19H24N2O.ClH/c1-3-21(4-2)15-18(22)20-19(16-11-7-5-8-12-16)17-13-9-6-10-14-17;/h5-14,19H,3-4,15H2,1-2H3,(H,20,22);1H
InChIKeyHTKFSFGQUWGCRB-UHFFFAOYSA-N
MW332.88 g/mol
LogP3.66
Rot. Bonds7

About N-benzhydryl-2-(diethylamino)acetamide;hydrochloride

N-benzhydryl-2-(diethylamino)acetamide;hydrochloride (PubChem CID 3042557) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is N-benzhydryl-2-(diethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-benzhydryl-2-(diethylamino)acetamide;hydrochloride
PubChem CID3042557
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC NameN-benzhydryl-2-(diethylamino)acetamide;hydrochloride
SMILESCCN(CC)CC(=O)NC(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C19H24N2O.ClH/c1-3-21(4-2)15-18(22)20-19(16-11-7-5-8-12-16)17-13-9-6-10-14-17;/h5-14,19H,3-4,15H2,1-2H3,(H,20,22);1H
InChIKeyHTKFSFGQUWGCRB-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(diethylamino)acetamide;hydrochloride?
The IUPAC name of N-benzhydryl-2-(diethylamino)acetamide;hydrochloride (CID 3042557) is N-benzhydryl-2-(diethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-benzhydryl-2-(diethylamino)acetamide;hydrochloride?
The canonical SMILES for N-benzhydryl-2-(diethylamino)acetamide;hydrochloride is CCN(CC)CC(=O)NC(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of N-benzhydryl-2-(diethylamino)acetamide;hydrochloride?
The InChIKey is HTKFSFGQUWGCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O.ClH/c1-3-21(4-2)15-18(22)20-19(16-11-7-5-8-12-16)17-13-9-6-10-14-17;/h5-14,19H,3-4,15H2,1-2H3,(H,20,22);1H.
What are the key properties of N-benzhydryl-2-(diethylamino)acetamide;hydrochloride?
N-benzhydryl-2-(diethylamino)acetamide;hydrochloride has a molecular weight of 332.88 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(diethylamino)acetamide;hydrochloride is sourced from PubChem (CID 3042557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).