N-benzyl-3-[[2-(tert-butylamino)acetyl]amino]-N-methylbenzamide

C21H27N3O2 — CID 54813861

IUPACN-benzyl-3-[[2-(tert-butylamino)acetyl]amino]-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(NC(=O)CNC(C)(C)C)c1
InChIInChI=1S/C21H27N3O2/c1-21(2,3)22-14-19(25)23-18-12-8-11-17(13-18)20(26)24(4)15-16-9-6-5-7-10-16/h5-13,22H,14-15H2,1-4H3,(H,23,25)
InChIKeyZZNICBMFMZDXTQ-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.29
Rot. Bonds6

About N-benzyl-3-[[2-(tert-butylamino)acetyl]amino]-N-methylbenzamide

N-benzyl-3-[[2-(tert-butylamino)acetyl]amino]-N-methylbenzamide (PubChem CID 54813861) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-benzyl-3-[[2-(tert-butylamino)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-3-[[2-(tert-butylamino)acetyl]amino]-N-methylbenzamide
PubChem CID54813861
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-benzyl-3-[[2-(tert-butylamino)acetyl]amino]-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(NC(=O)CNC(C)(C)C)c1
InChIInChI=1S/C21H27N3O2/c1-21(2,3)22-14-19(25)23-18-12-8-11-17(13-18)20(26)24(4)15-16-9-6-5-7-10-16/h5-13,22H,14-15H2,1-4H3,(H,23,25)
InChIKeyZZNICBMFMZDXTQ-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

3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide
CID 54831451
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54842144
N-benzyl-3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methylbenzamide
CID 54813258
3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54841952
N-benzyl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54842043
3-benzamido-N-benzyl-N-methylbenzamide
CID 3936845
N-benzyl-3-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54842189
N-benzyl-3-[[2-(2,3-dichloroanilino)acetyl]amino]-N-methylbenzamide
CID 54816093
N-benzyl-3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-methylbenzamide
CID 54816242
3-[[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833586
N-benzyl-N-methyl-3-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54828122
N-benzyl-3-[[2-[3-(hexanoylamino)anilino]acetyl]amino]-N-methylbenzamide
CID 54841033

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[2-(tert-butylamino)acetyl]amino]-N-methylbenzamide?
The IUPAC name of N-benzyl-3-[[2-(tert-butylamino)acetyl]amino]-N-methylbenzamide (CID 54813861) is N-benzyl-3-[[2-(tert-butylamino)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for N-benzyl-3-[[2-(tert-butylamino)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for N-benzyl-3-[[2-(tert-butylamino)acetyl]amino]-N-methylbenzamide is CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)CNC(C)(C)C)c1.
What is the InChIKey of N-benzyl-3-[[2-(tert-butylamino)acetyl]amino]-N-methylbenzamide?
The InChIKey is ZZNICBMFMZDXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-21(2,3)22-14-19(25)23-18-12-8-11-17(13-18)20(26)24(4)15-16-9-6-5-7-10-16/h5-13,22H,14-15H2,1-4H3,(H,23,25).
What are the key properties of N-benzyl-3-[[2-(tert-butylamino)acetyl]amino]-N-methylbenzamide?
N-benzyl-3-[[2-(tert-butylamino)acetyl]amino]-N-methylbenzamide 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 N-benzyl-3-[[2-(tert-butylamino)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 54813861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).