3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N,N-diethylbenzamide

C21H27N3O2 — CID 54832457

IUPAC3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NCC(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C21H27N3O2/c1-4-24(5-2)21(26)18-12-9-13-19(14-18)22-15-20(25)23(3)16-17-10-7-6-8-11-17/h6-14,22H,4-5,15-16H2,1-3H3
InChIKeyWVEPKYOSSXGWAG-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.24
Rot. Bonds8

About 3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N,N-diethylbenzamide

3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N,N-diethylbenzamide (PubChem CID 54832457) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N,N-diethylbenzamide
PubChem CID54832457
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NCC(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C21H27N3O2/c1-4-24(5-2)21(26)18-12-9-13-19(14-18)22-15-20(25)23(3)16-17-10-7-6-8-11-17/h6-14,22H,4-5,15-16H2,1-3H3
InChIKeyWVEPKYOSSXGWAG-UHFFFAOYSA-N
XLogP3.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839121
methyl 3-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate
CID 108999033
N-benzyl-2-(3-ethoxyanilino)-N-methylacetamide
CID 54824566
N-benzyl-N-methyl-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843335
3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834776
N-benzyl-3-[[2-(butylamino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54842110
3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54841952
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide
CID 54831451
N-benzyl-N-ethyl-3-(propanoylamino)benzamide
CID 17309573
3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832401
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54842144
3-[[2-(N-ethylanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 37257112

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N,N-diethylbenzamide (CID 54832457) is 3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NCC(=O)N(C)Cc2ccccc2)c1.
What is the InChIKey of 3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N,N-diethylbenzamide?
The InChIKey is WVEPKYOSSXGWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-4-24(5-2)21(26)18-12-9-13-19(14-18)22-15-20(25)23(3)16-17-10-7-6-8-11-17/h6-14,22H,4-5,15-16H2,1-3H3.
What are the key properties of 3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N,N-diethylbenzamide?
3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N,N-diethylbenzamide has a molecular weight of 353.47 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 54832457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).