4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide

C21H27N3O2 — CID 54835092

IUPAC4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide
SMILESCN(Cc1ccccc1)C(=O)CNc1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C21H27N3O2/c1-21(2,3)23-20(26)17-10-12-18(13-11-17)22-14-19(25)24(4)15-16-8-6-5-7-9-16/h5-13,22H,14-15H2,1-4H3,(H,23,26)
InChIKeyZIIGBWMBBXVDOF-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.29
Rot. Bonds6

About 4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide

4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide (PubChem CID 54835092) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide.

Molecular Properties

Compound Name4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide
PubChem CID54835092
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide
SMILESCN(Cc1ccccc1)C(=O)CNc1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C21H27N3O2/c1-21(2,3)23-20(26)17-10-12-18(13-11-17)22-14-19(25)24(4)15-16-8-6-5-7-9-16/h5-13,22H,14-15H2,1-4H3,(H,23,26)
InChIKeyZIIGBWMBBXVDOF-UHFFFAOYSA-N
XLogP3.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54842043
N-[3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839121
N-tert-butyl-4-[(dimethylamino)methyl]benzamide
CID 60699335
N-benzyl-N-methyl-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54821466
4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834855
4-[benzyl(methyl)sulfamoyl]-N-tert-butylbenzamide
CID 109060739
N-benzyl-N-methyl-2-(2-methylanilino)acetamide
CID 39367191
2-anilino-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 60683095
N-tert-butyl-4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzamide
CID 55702135
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-2-[4-[(4-tert-butylphenyl)methylamino]phenyl]-N-methylacetamide
CID 42852735
3-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832457

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide?
The IUPAC name of 4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide (CID 54835092) is 4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide.
What is the SMILES notation for 4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide?
The canonical SMILES for 4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide is CN(Cc1ccccc1)C(=O)CNc1ccc(C(=O)NC(C)(C)C)cc1.
What is the InChIKey of 4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide?
The InChIKey is ZIIGBWMBBXVDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-21(2,3)23-20(26)17-10-12-18(13-11-17)22-14-19(25)24(4)15-16-8-6-5-7-9-16/h5-13,22H,14-15H2,1-4H3,(H,23,26).
What are the key properties of 4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide?
4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide has a molecular weight of 353.47 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide is sourced from PubChem (CID 54835092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).