N'-benzyl-N,N-diethyl-N'-phenylpropanediamide

C20H24N2O2 — CID 108951133

IUPACN'-benzyl-N,N-diethyl-N'-phenylpropanediamide
SMILESCCN(CC)C(=O)CC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-3-21(4-2)19(23)15-20(24)22(18-13-9-6-10-14-18)16-17-11-7-5-8-12-17/h5-14H,3-4,15-16H2,1-2H3
InChIKeyVOMQMKKZFVQXND-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.48
Rot. Bonds7

About N'-benzyl-N,N-diethyl-N'-phenylpropanediamide

N'-benzyl-N,N-diethyl-N'-phenylpropanediamide (PubChem CID 108951133) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N'-benzyl-N,N-diethyl-N'-phenylpropanediamide.

Molecular Properties

Compound NameN'-benzyl-N,N-diethyl-N'-phenylpropanediamide
PubChem CID108951133
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN'-benzyl-N,N-diethyl-N'-phenylpropanediamide
SMILESCCN(CC)C(=O)CC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-3-21(4-2)19(23)15-20(24)22(18-13-9-6-10-14-18)16-17-11-7-5-8-12-17/h5-14H,3-4,15-16H2,1-2H3
InChIKeyVOMQMKKZFVQXND-UHFFFAOYSA-N
XLogP3.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N,N'-dibenzyl-N-ethyl-N'-phenylpropanediamide
CID 108947400
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
N-benzyl-N-ethyl-N',N'-dipropylpropanediamide
CID 108947326
2-(N-benzylanilino)-N,N-diethylacetamide
CID 109005016
N'-benzyl-N-pentyl-N'-phenylpropanediamide
CID 108951958
1-N-benzyl-1-N,4-N-diethyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109047506
3-(N-benzylanilino)-N,N-diethylpropanamide
CID 109030661
N-benzyl-5-hydroxy-N-phenylpentanamide
CID 79194764
N'-benzyl-N'-phenyl-N-(1-phenylethyl)propanediamide
CID 108945995
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
3-amino-N-benzyl-N-phenylbutanamide
CID 61260730

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N,N-diethyl-N'-phenylpropanediamide?
The IUPAC name of N'-benzyl-N,N-diethyl-N'-phenylpropanediamide (CID 108951133) is N'-benzyl-N,N-diethyl-N'-phenylpropanediamide.
What is the SMILES notation for N'-benzyl-N,N-diethyl-N'-phenylpropanediamide?
The canonical SMILES for N'-benzyl-N,N-diethyl-N'-phenylpropanediamide is CCN(CC)C(=O)CC(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N'-benzyl-N,N-diethyl-N'-phenylpropanediamide?
The InChIKey is VOMQMKKZFVQXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-21(4-2)19(23)15-20(24)22(18-13-9-6-10-14-18)16-17-11-7-5-8-12-17/h5-14H,3-4,15-16H2,1-2H3.
What are the key properties of N'-benzyl-N,N-diethyl-N'-phenylpropanediamide?
N'-benzyl-N,N-diethyl-N'-phenylpropanediamide has a molecular weight of 324.42 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N,N-diethyl-N'-phenylpropanediamide is sourced from PubChem (CID 108951133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).