N-benzyl-N'-tert-butyl-2,2-dimethylpropanediamide

C16H24N2O2 — CID 108961541

IUPACN-benzyl-N'-tert-butyl-2,2-dimethylpropanediamide
SMILESCC(C)(C)NC(=O)C(C)(C)C(=O)NCc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-15(2,3)18-14(20)16(4,5)13(19)17-11-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3,(H,17,19)(H,18,20)
InChIKeySHQQARLHOFOYPJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.24
Rot. Bonds4

About N-benzyl-N'-tert-butyl-2,2-dimethylpropanediamide

N-benzyl-N'-tert-butyl-2,2-dimethylpropanediamide (PubChem CID 108961541) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-benzyl-N'-tert-butyl-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-benzyl-N'-tert-butyl-2,2-dimethylpropanediamide
PubChem CID108961541
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-benzyl-N'-tert-butyl-2,2-dimethylpropanediamide
SMILESCC(C)(C)NC(=O)C(C)(C)C(=O)NCc1ccccc1
InChIInChI=1S/C16H24N2O2/c1-15(2,3)18-14(20)16(4,5)13(19)17-11-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3,(H,17,19)(H,18,20)
InChIKeySHQQARLHOFOYPJ-UHFFFAOYSA-N
XLogP2.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(benzylamino)-2,2-dimethyl-3-oxopropanoate
CID 15185516
N-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108961493
N-benzyl-2-methyl-2-(methylamino)propanamide
CID 62834477
N-benzyl-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108961574
N-benzyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108961605
2,2-dimethyl-N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963643
N-tert-butyl-N'-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108965097
2,2-dimethyl-N-phenyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963689
N-benzyl-2-bromo-2,2-difluoroacetamide
CID 86212006
1-benzyl-3-(2,3,3-trimethylbutan-2-yl)urea
CID 131211782
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108961962
N-(2-tert-butylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962027

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-tert-butyl-2,2-dimethylpropanediamide?
The IUPAC name of N-benzyl-N'-tert-butyl-2,2-dimethylpropanediamide (CID 108961541) is N-benzyl-N'-tert-butyl-2,2-dimethylpropanediamide.
What is the SMILES notation for N-benzyl-N'-tert-butyl-2,2-dimethylpropanediamide?
The canonical SMILES for N-benzyl-N'-tert-butyl-2,2-dimethylpropanediamide is CC(C)(C)NC(=O)C(C)(C)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-N'-tert-butyl-2,2-dimethylpropanediamide?
The InChIKey is SHQQARLHOFOYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-15(2,3)18-14(20)16(4,5)13(19)17-11-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3,(H,17,19)(H,18,20).
What are the key properties of N-benzyl-N'-tert-butyl-2,2-dimethylpropanediamide?
N-benzyl-N'-tert-butyl-2,2-dimethylpropanediamide has a molecular weight of 276.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-tert-butyl-2,2-dimethylpropanediamide is sourced from PubChem (CID 108961541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).