N-(benzhydrylideneamino)-2-(diethylamino)acetamide

C19H23N3O — CID 3738739

IUPACN-(benzhydrylideneamino)-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N3O/c1-3-22(4-2)15-18(23)20-21-19(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3,(H,20,23)
InChIKeyMLEFKABRWRSMLS-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.90
Rot. Bonds7

About N-(benzhydrylideneamino)-2-(diethylamino)acetamide

N-(benzhydrylideneamino)-2-(diethylamino)acetamide (PubChem CID 3738739) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-2-(diethylamino)acetamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-2-(diethylamino)acetamide
PubChem CID3738739
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-(benzhydrylideneamino)-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N3O/c1-3-22(4-2)15-18(23)20-21-19(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3,(H,20,23)
InChIKeyMLEFKABRWRSMLS-UHFFFAOYSA-N
XLogP2.90
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-2-(diethylamino)acetamide?
The IUPAC name of N-(benzhydrylideneamino)-2-(diethylamino)acetamide (CID 3738739) is N-(benzhydrylideneamino)-2-(diethylamino)acetamide.
What is the SMILES notation for N-(benzhydrylideneamino)-2-(diethylamino)acetamide?
The canonical SMILES for N-(benzhydrylideneamino)-2-(diethylamino)acetamide is CCN(CC)CC(=O)NN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(benzhydrylideneamino)-2-(diethylamino)acetamide?
The InChIKey is MLEFKABRWRSMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-3-22(4-2)15-18(23)20-21-19(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3,(H,20,23).
What are the key properties of N-(benzhydrylideneamino)-2-(diethylamino)acetamide?
N-(benzhydrylideneamino)-2-(diethylamino)acetamide has a molecular weight of 309.41 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-2-(diethylamino)acetamide is sourced from PubChem (CID 3738739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).