3-(N-benzylanilino)-N,N-diethylpropanamide

C20H26N2O — CID 109030661

IUPAC3-(N-benzylanilino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H26N2O/c1-3-21(4-2)20(23)15-16-22(19-13-9-6-10-14-19)17-18-11-7-5-8-12-18/h5-14H,3-4,15-17H2,1-2H3
InChIKeyYLDSTSUAQQWILF-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.95
Rot. Bonds8

About 3-(N-benzylanilino)-N,N-diethylpropanamide

3-(N-benzylanilino)-N,N-diethylpropanamide (PubChem CID 109030661) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-(N-benzylanilino)-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-(N-benzylanilino)-N,N-diethylpropanamide
PubChem CID109030661
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-(N-benzylanilino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H26N2O/c1-3-21(4-2)20(23)15-16-22(19-13-9-6-10-14-19)17-18-11-7-5-8-12-18/h5-14H,3-4,15-17H2,1-2H3
InChIKeyYLDSTSUAQQWILF-UHFFFAOYSA-N
XLogP3.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-benzylanilino)-N,N-diethylacetamide
CID 109005016
3-[acetyl(benzyl)amino]-N,N-diethylpropanamide
CID 113118249
N,N-diethyl-3-(N-phenylanilino)propanamide
CID 3040700
3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide
CID 113138656
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N-benzyl-N-propylaniline
CID 14671265
N'-benzyl-N,N-diethyl-N'-phenylpropanediamide
CID 108951133
6-[benzyl(propyl)amino]-6-oxohexanoic acid
CID 43579947
N-benzyl-5-chloro-N-ethylpentanamide
CID 28727812
3-[acetyl(2-phenylethyl)amino]-N,N-diethylpropanamide
CID 113120794
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
3-(N-acetyl-4-methylanilino)-N-benzyl-N-ethylpropanamide
CID 113123957

Frequently Asked Questions

What is the IUPAC name of 3-(N-benzylanilino)-N,N-diethylpropanamide?
The IUPAC name of 3-(N-benzylanilino)-N,N-diethylpropanamide (CID 109030661) is 3-(N-benzylanilino)-N,N-diethylpropanamide.
What is the SMILES notation for 3-(N-benzylanilino)-N,N-diethylpropanamide?
The canonical SMILES for 3-(N-benzylanilino)-N,N-diethylpropanamide is CCN(CC)C(=O)CCN(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 3-(N-benzylanilino)-N,N-diethylpropanamide?
The InChIKey is YLDSTSUAQQWILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-3-21(4-2)20(23)15-16-22(19-13-9-6-10-14-19)17-18-11-7-5-8-12-18/h5-14H,3-4,15-17H2,1-2H3.
What are the key properties of 3-(N-benzylanilino)-N,N-diethylpropanamide?
3-(N-benzylanilino)-N,N-diethylpropanamide has a molecular weight of 310.44 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-benzylanilino)-N,N-diethylpropanamide is sourced from PubChem (CID 109030661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).