N-(tert-butylcarbamoyl)-2-(dibenzylamino)acetamide

C21H27N3O2 — CID 55319008

IUPACN-(tert-butylcarbamoyl)-2-(dibenzylamino)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H27N3O2/c1-21(2,3)23-20(26)22-19(25)16-24(14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3,(H2,22,23,25,26)
InChIKeyHAHPGWKKGUFJQM-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.31
Rot. Bonds6

About N-(tert-butylcarbamoyl)-2-(dibenzylamino)acetamide

N-(tert-butylcarbamoyl)-2-(dibenzylamino)acetamide (PubChem CID 55319008) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-(dibenzylamino)acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-(dibenzylamino)acetamide
PubChem CID55319008
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(tert-butylcarbamoyl)-2-(dibenzylamino)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H27N3O2/c1-21(2,3)23-20(26)22-19(25)16-24(14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3,(H2,22,23,25,26)
InChIKeyHAHPGWKKGUFJQM-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(tert-butylcarbamoyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
CID 51200030
N-(1-amino-2-methylpropan-2-yl)-2-(dibenzylamino)acetamide;dihydrochloride
CID 119522718
N-(tert-butylcarbamothioyl)-2-phenylacetamide;N-(tert-butylcarbamoyl)-2-phenylacetamide
CID 161463574
N-(tert-butylcarbamoyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 4818784
2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide
CID 60685209
N-(tert-butylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028162
2-(dibenzylamino)-N-[2-methyl-1-(N-methylanilino)-1-sulfanylidenepropan-2-yl]acetamide
CID 101153293
4-[[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 37212891
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9030856
2-(dibenzylamino)-N-(4-methylphenyl)acetamide
CID 18870817
N-(tert-butylcarbamoyl)-2-[methyl(naphthalen-1-yl)amino]acetamide
CID 60570477
2-[benzyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 17415318

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-(dibenzylamino)acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-(dibenzylamino)acetamide (CID 55319008) is N-(tert-butylcarbamoyl)-2-(dibenzylamino)acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-(dibenzylamino)acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-(dibenzylamino)acetamide is CC(C)(C)NC(=O)NC(=O)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-(dibenzylamino)acetamide?
The InChIKey is HAHPGWKKGUFJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-21(2,3)23-20(26)22-19(25)16-24(14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3,(H2,22,23,25,26).
What are the key properties of N-(tert-butylcarbamoyl)-2-(dibenzylamino)acetamide?
N-(tert-butylcarbamoyl)-2-(dibenzylamino)acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-(dibenzylamino)acetamide is sourced from PubChem (CID 55319008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).